(10R,11S,15R,16R)-16-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-10-(3,4,5-trimethoxyphenyl)-4,6,13-trioxatetracyclo[7.7.0.0³,⁷.0¹¹,¹⁵]hexadeca-1,3(7),8-trien-12-one
Structure Info
- Chemspace ID
- CSSB14929136751 (In-Stock Building Blocks)
- MFCD
- MFCD35203173
- IUPAC Name
- (10R,11S,15R,16R)-16-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-10-(3,4,5-trimethoxyphenyl)-4,6,13-trioxatetracyclo[7.7.0.0³,⁷.0¹¹,¹⁵]hexadeca-1,3(7),8-trien-12-one
- Mol formula
- C28H32O13
- Mol weight
- 577 Da
- Catalog Number(s)
- AA02AJIS, ACM1400926, AG02AJLK, AR02AKAK, BM50992, EC02ALRC, H50700, HY-N12034, OR1108372, T81462, TX02AKR8, Y3314220
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- -0.15
- Heavy atoms count
- 41
- Rotatable bond count
- 7
- Number of rings
- 6
- Carbon bond saturation, Fsp3
- 0.535
- Polar surface area (Å)
- 172
- Hydrogen bond acceptors count
- 12
- Hydrogen bond donors count
- 4
![Chemical structure of (10R,11S,15R,16R)-16-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-10-(3,4,5-trimethoxyphenyl)-4,6,13-trioxatetracyclo[7.7.0.0³,⁷.0¹¹,¹⁵]hexadeca-1,3(7),8-trien-12-one (C28H32O13) - CSSB14929136751](/st/structure/200/ca22212d0dd8ce2f8670545ba76cfa95/COc1cc%2528cc%2528OC%2529c1OC%2529%255BC%2540H%255D1%255BC%2540H%255D2%255BC%2540H%255D%2528COC2%253DO%2529%255BC%2540%2540H%255D%2528O%255BC%2540%2540H%255D2O%255BC%2540H%255D%2528CO%2529%255BC%2540%2540H%255D%2528O%2529%255BC%2540H%255D%2528O%2529%255BC%2540H%255D2O%2529c2cc3OCOc3cc12.png "C28H32O13")
- Zoom the structure
- CSSB14929136751
Items Overall 16 items from 4 suppliers
| Supplier | Lead time | Ships from | Purity | Pack | Price, $ | Qty |
|---|---|---|---|---|---|---|
| Angene International Limited | 10 days | China To: | 98 | 5 mg | 695.70 | |
| Angene International Limited | 10 days | China To: | 98 | 10 mg | 1,249.20 | |
| Angene International Limited | 10 days | China To: | 98 | 20 mg | 2,079.90 | |
| Angene International Limited | 10 days | China To: | 98 | 50 mg | 4,157.10 | |
Description: (5R,5aS,8aR,9R)-9-(β-D-Glucopyranosyloxy)-5,8,8a,9-tetrahydro-5-(3,4,5-trimethoxyphenyl)furo[3′,4′:6,7]naphtho[2,3-d]-1,3-dioxol-6(5aH)-one; CAS: 1400-92-6 | ||||||
| Aaron Chemicals LLC | 12 days | United States To: | 98 | 5 mg | 777.40 | |
| Aaron Chemicals LLC | 12 days | United States To: | 98 | 10 mg | 1,397.25 | |
| Aaron Chemicals LLC | 12 days | United States To: | 98 | 20 mg | 2,325.30 | |
| Aaron Chemicals LLC | 12 days | United States To: | 98 | 50 mg | 4,647.15 | |
| eNovation CN | 20 days | China To: | 98 | 5 mg | 989.00 | |
| eNovation CN | 20 days | China To: | 98 | 10 mg | 1,730.75 | |
| eNovation CN | 20 days | China To: | 98 | 20 mg | 2,846.25 | |
| eNovation CN | 20 days | China To: | 98 | 50 mg | 5,629.25 | |
Description: (5R,5aS,8aR,9R)-9-(-D-Glucopyranosyloxy)-5,8,8a,9-tetrahydro-5-(3,4,5-trimethoxyphenyl)furo[3,4:6,7]naphtho[2,3-d]-1,3-dioxol-6(5aH)-one; CAS: 1400-92-6 | ||||||
| Accel Scientific, S.L. | 20 days | China To: | 98 | 5 mg | 1,089.00 | |
| Accel Scientific, S.L. | 20 days | China To: | 98 | 10 mg | 1,955.80 | |
| Accel Scientific, S.L. | 20 days | China To: | 98 | 20 mg | 3,256.00 | |
| Accel Scientific, S.L. | 20 days | China To: | 98 | 50 mg | 6,507.60 | |
Description: (5R,5aS,8aR,9R)-9-(β-D-Glucopyranosyloxy)-5,8,8a,9-tetrahydro-5-(3,4,5-trimethoxyphenyl)furo[3′,4′:6,7]naphtho[2,3-d]-1,3-dioxol-6(5aH)-one; CAS: 1400-92-6 | ||||||
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Substructure Analogs
![Chemical structure of (10R,11S,15R,16R)-16-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-10-(3,4,5-trimethoxyphenyl)-4,6,13-trioxatetracyclo[7.7.0.0³,⁷.0¹¹,¹⁵]hexadeca-1,3(7),8-trien-12-one - CSSB14929136752](/st/structure/200/0289d6fa18c8f6ea0534ed11e66a0869/COc1cc%2528cc%2528OC%2529c1OC%2529%255BC%2540H%255D1%255BC%2540H%255D2%255BC%2540H%255D%2528COC2%253DO%2529%255BC%2540%2540H%255D%2528O%255BC%2540%2540H%255D2O%255BC%2540H%255D%2528CO%255BC%2540%2540H%255D3O%255BC%2540H%255D%2528CO%2529%255BC%2540%2540H%255D%2528O%2529%255BC%2540H%255D%2528O%2529%255BC%2540H%255D3O%2529%255BC%2540%2540H%255D%2528O%2529%255BC%2540H%255D%2528O%2529%255BC%2540H%255D2O%2529c2cc3OCOc3cc12.png)
Similarity Analogs
![Chemical structure of (10R,11R,15R,16R)-16-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-10-(3,4,5-trimethoxyphenyl)-4,6,13-trioxatetracyclo[7.7.0.0³,⁷.0¹¹,¹⁵]hexadeca-1,3(7),8-trien-12-one - CSSB06256040526](/st/structure/200/9a2a89c42d3e30018bde7f59310c0c86/COc1cc%2528cc%2528OC%2529c1OC%2529%255BC%2540H%255D1%255BC%2540%2540H%255D2%255BC%2540H%255D%2528COC2%253DO%2529%255BC%2540%2540H%255D%2528O%255BC%2540%2540H%255D2O%255BC%2540H%255D%2528CO%2529%255BC%2540%2540H%255D%2528O%2529%255BC%2540H%255D%2528O%2529%255BC%2540H%255D2O%2529c2cc3OCOc3cc12.png)
![Chemical structure of 16-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-10-(3,4,5-trimethoxyphenyl)-4,6,13-trioxatetracyclo[7.7.0.0³,⁷.0¹¹,¹⁵]hexadeca-1,3(7),8-trien-12-one - CSSB00159279279](/st/structure/200/72d9c08ce09000be5a5f61d9fa504461/COC1%253DCC%2528%253DCC%2528OC%2529%253DC1OC%2529C1C2C%2528COC2%253DO%2529C%2528OC2OC%2528CO%2529C%2528O%2529C%2528O%2529C2O%2529C2%253DCC3%253DC%2528OCO3%2529C%253DC12.png)
![Chemical structure of (10R,11R,15R,16S)-10-(4-hydroxy-3,5-dimethoxyphenyl)-16-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4,6,13-trioxatetracyclo[7.7.0.0³,⁷.0¹¹,¹⁵]hexadeca-1,3(7),8-trien-12-one - CSSB00102607287](/st/structure/200/e07e0cef0fc2a8e2a73e6bf495da8ee9/COC1%253DCC%2528%253DCC%2528OC%2529%253DC1O%2529%255BC%2540H%255D1%255BC%2540%2540H%255D2%255BC%2540H%255D%2528COC2%253DO%2529%255BC%2540H%255D%2528O%255BC%2540%2540H%255D2O%255BC%2540H%255D%2528CO%2529%255BC%2540%2540H%255D%2528O%2529%255BC%2540H%255D%2528O%2529%255BC%2540H%255D2O%2529C2%253DCC3%253DC%2528OCO3%2529C%253DC12.png)
![Chemical structure of {4-[(10R,11R,15R,16S)-16-{[(2R,4aR,6R,7R,8R,8aS)-7,8-dihydroxy-2-methyl-hexahydro-2H-pyrano[3,2-d][1,3]dioxin-6-yl]oxy}-12-oxo-4,6,13-trioxatetracyclo[7.7.0.0³,⁷.0¹¹,¹⁵]hexadeca-1,3(7),8-trien-10-yl]-2,6-dimethoxyphenoxy}phosphonic acid - CSSB00000053714](/st/structure/200/48bc3cbb5c026b193c49f5f2892737ec/COC1%253DCC%2528%253DCC%2528OC%2529%253DC1OP%2528O%2529%2528O%2529%253DO%2529%255BC%2540H%255D1%255BC%2540%2540H%255D2%255BC%2540H%255D%2528COC2%253DO%2529%255BC%2540H%255D%2528O%255BC%2540%2540H%255D2O%255BC%2540%2540H%255D3CO%255BC%2540%2540H%255D%2528C%2529O%255BC%2540H%255D3%255BC%2540H%255D%2528O%2529%255BC%2540H%255D2O%2529C2%253DCC3%253DC%2528OCO3%2529C%253DC12.png)
![Chemical structure of {4-[16-({7,8-dihydroxy-2-methyl-hexahydro-2H-pyrano[3,2-d][1,3]dioxin-6-yl}oxy)-12-oxo-4,6,13-trioxatetracyclo[7.7.0.0³,⁷.0¹¹,¹⁵]hexadeca-1,3(7),8-trien-10-yl]-2,6-dimethoxyphenoxy}phosphonic acid - CSSB02125556013](/st/structure/200/79704e53394a050cd32eb9852b048558/COC1%253DCC%2528%253DCC%2528OC%2529%253DC1OP%2528O%2529%2528O%2529%253DO%2529C1C2C%2528COC2%253DO%2529C%2528OC2OC3COC%2528C%2529OC3C%2528O%2529C2O%2529C2%253DCC3%253DC%2528OCO3%2529C%253DC12.png)
![Chemical structure of {4-[(10R,11R,15R,16S)-16-({7,8-dihydroxy-2-methyl-hexahydro-2H-pyrano[3,2-d][1,3]dioxin-6-yl}oxy)-12-oxo-4,6,13-trioxatetracyclo[7.7.0.0³,⁷.0¹¹,¹⁵]hexadeca-1,3(7),8-trien-10-yl]-2,6-dimethoxyphenoxy}phosphonic acid - CSSB21193440958](/st/structure/200/390c9a790683cfc0a907739ae1191c1e/COC1%253DCC%2528%253DCC%2528OC%2529%253DC1OP%2528O%2529%2528O%2529%253DO%2529%255BC%2540H%255D1%255BC%2540%2540H%255D2%255BC%2540H%255D%2528COC2%253DO%2529%255BC%2540H%255D%2528OC2OC3COC%2528C%2529OC3C%2528O%2529C2O%2529C2%253DCC3%253DC%2528OCO3%2529C%253DC12.png)
