(1S,2S,5R,7R,8S,9S,10S,11R)-9,10-dihydroxy-12,12-dimethyl-6-methylidene-15-oxo-17-oxapentacyclo[7.6.2.1⁵,⁸.0¹,¹¹.0²,⁸]octadec-13-en-7-yl acetate
Structure Info
- Chemspace ID
- CSSB06629245697 (In-Stock Building Blocks)
- CAS
- 96850-29-2
- MFCD
- MFCD31726267, MFCD02259439
- IUPAC Name
- (1S,2S,5R,7R,8S,9S,10S,11R)-9,10-dihydroxy-12,12-dimethyl-6-methylidene-15-oxo-17-oxapentacyclo[7.6.2.1⁵,⁸.0¹,¹¹.0²,⁸]octadec-13-en-7-yl acetate
- Mol formula
- C22H28O6
- Mol weight
- 388 Da
- Catalog Number(s)
- AD265791, AKOS032961588, BUP22082, CD32000045, HY-N3322, M29321, TN4494, W1412
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 1.78
- Heavy atoms count
- 28
- Rotatable bond count
- 2
- Number of rings
- 5
- Carbon bond saturation, Fsp3
- 0.727
- Polar surface area (Å)
- 93
- Hydrogen bond acceptors count
- 5
- Hydrogen bond donors count
- 2
![Chemical structure of (1S,2S,5R,7R,8S,9S,10S,11R)-9,10-dihydroxy-12,12-dimethyl-6-methylidene-15-oxo-17-oxapentacyclo[7.6.2.1⁵,⁸.0¹,¹¹.0²,⁸]octadec-13-en-7-yl acetate (C22H28O6) - CSSB06629245697](/st/structure/200/5bafd6b01b19b4d5601d7177759c23aa/CC%2528%253DO%2529O%255BC%2540%2540H%255D1C%2528%253DC%2529%255BC%2540H%255D2C%255BC%2540%255D11%255BC%2540%2540H%255D%2528CC2%2529%255BC%2540%2540%255D23CO%255BC%2540%255D1%2528O%2529%255BC%2540%2540H%255D%2528O%2529%255BC%2540%2540H%255D2C%2528C%2529%2528C%2529C%253DCC3%253DO.png "C22H28O6")
- Zoom the structure
- CSSB06629245697
Items Overall 2 items from 1 supplier
| Supplier | Lead time | Ships from | Purity | Pack | Price, $ | Qty |
|---|---|---|---|---|---|---|
| Advanced ChemBlocks CN | 10 days | China To: | 98 | 1 mg | 430.00 | |
| Advanced ChemBlocks CN | 10 days | China To: | 98 | 5 mg | 1,210.00 | |
Description: Maoecrystal B; CAS: 96850-29-2 | ||||||
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Substructure Analogs
![Chemical structure of (1S,2S,5R,7R,8S,9S,10S,11R)-10-(acetyloxy)-9-hydroxy-12,12-dimethyl-6-methylidene-15-oxo-17-oxapentacyclo[7.6.2.1⁵,⁸.0¹,¹¹.0²,⁸]octadec-13-en-7-yl acetate - CSSB06629245696](/st/structure/200/5bbc503ad3847b88bd96f4448f2e1fbb/CC%2528%253DO%2529O%255BC%2540%2540H%255D1C%2528%253DC%2529%255BC%2540H%255D2C%255BC%2540%255D11%255BC%2540%2540H%255D%2528CC2%2529%255BC%2540%2540%255D23CO%255BC%2540%255D1%2528O%2529%255BC%2540%2540H%255D%2528OC%2528C%2529%253DO%2529%255BC%2540%2540H%255D2C%2528C%2529%2528C%2529C%253DCC3%253DO.png)
Similarity Analogs
![Chemical structure of (1S,2S,5R,7R,8S,9R,10S,11R)-9,10-dihydroxy-12,12-dimethyl-6-methylidene-15-oxo-17-oxapentacyclo[7.6.2.1⁵,⁸.0¹,¹¹.0²,⁸]octadec-13-en-7-yl acetate - CSSB00159261006](/st/structure/200/3be88be6d8be0da7329da13bf6f19b39/CC%2528%253DO%2529O%255BC%2540%2540H%255D1C%2528%253DC%2529%255BC%2540H%255D2C%255BC%2540%255D11%255BC%2540%2540H%255D%2528CC2%2529%255BC%2540%2540%255D23CO%255BC%2540%2540%255D1%2528O%2529%255BC%2540%2540H%255D%2528O%2529%255BC%2540%2540H%255D2C%2528C%2529%2528C%2529C%253DCC3%253DO.png)
![Chemical structure of (1S,2S,5R,8S,9S,10S,11R)-9,10-dihydroxy-12,12-dimethyl-6-methylidene-17-oxapentacyclo[7.6.2.1⁵,⁸.0¹,¹¹.0²,⁸]octadec-13-ene-7,15-dione - CSSB00103151162](/st/structure/200/88b0f24e02a7eb4b89f0cbd547195736/CC1%2528C%2529C%253DCC%2528%253DO%2529%255BC%2540%255D23CO%255BC%2540%255D%2528O%2529%2528%255BC%2540%2540H%255D%2528O%2529%255BC%2540H%255D12%2529%255BC%2540%2540%255D12C%255BC%2540%2540H%255D%2528CC%255BC%2540%2540H%255D31%2529C%2528%253DC%2529C2%253DO.png)
![Chemical structure of (9R,10S)-9,10-dihydroxy-12,12-dimethyl-6-methylidene-17-oxapentacyclo[7.6.2.1⁵,⁸.0¹,¹¹.0²,⁸]octadec-13-ene-7,15-dione - CSSB02531768507](/st/structure/200/4ab9b54b1b7a3a956812a19a6e5cfd23/CC1%2528C%2529C%253DCC%2528%253DO%2529C23CO%255BC%2540%2540%255D%2528O%2529%2528%255BC%2540%2540H%255D%2528O%2529C12%2529C12CC%2528CCC31%2529C%2528%253DC%2529C2%253DO.png)
![Chemical structure of (1S,2S,5R,7R,8S,9S,10S,11R,15R)-10-(acetyloxy)-9,15-dihydroxy-12,12-dimethyl-6-methylidene-17-oxapentacyclo[7.6.2.1⁵,⁸.0¹,¹¹.0²,⁸]octadecan-7-yl acetate - CSSB06744482155](/st/structure/200/11d118b8ea6727a2f7ffee2879f9e054/CC%2528%253DO%2529O%255BC%2540%2540H%255D1C%2528%253DC%2529%255BC%2540H%255D2C%255BC%2540%255D11%255BC%2540%2540H%255D%2528CC2%2529%255BC%2540%2540%255D23CO%255BC%2540%255D1%2528O%2529%255BC%2540%2540H%255D%2528OC%2528C%2529%253DO%2529%255BC%2540%2540H%255D2C%2528C%2529%2528C%2529CC%255BC%2540H%255D3O.png)
![Chemical structure of (1S,2S,5S,7R,8S,9R,10S,11R,15R)-10-(acetyloxy)-9,15-dihydroxy-12,12-dimethyl-6-methylidene-17-oxapentacyclo[7.6.2.1⁵,⁸.0¹,¹¹.0²,⁸]octadecan-7-yl acetate - CSSB00159260805](/st/structure/200/f63468c9ace15702430d04cadfd83051/CC%2528%253DO%2529O%255BC%2540%2540H%255D1C%2528%253DC%2529%255BC%2540%2540H%255D2C%255BC%2540%255D11%255BC%2540%2540H%255D%2528CC2%2529%255BC%2540%2540%255D23CO%255BC%2540%2540%255D1%2528O%2529%255BC%2540%2540H%255D%2528OC%2528C%2529%253DO%2529%255BC%2540%2540H%255D2C%2528C%2529%2528C%2529CC%255BC%2540H%255D3O.png)
![Chemical structure of (1S,2S,5S,8R,9S,10S,11R,15S,18R)-9,10,18-trihydroxy-12,12-dimethyl-6-methylidene-7-oxo-17-oxapentacyclo[7.6.2.1⁵,⁸.0¹,¹¹.0²,⁸]octadecan-15-yl acetate - CSSB00102656454](/st/structure/200/96bc58cf4af4216195b73e5510d02812/CC%2528%253DO%2529O%255BC%2540H%255D1CCC%2528C%2529%2528C%2529%255BC%2540H%255D2%255BC%2540H%255D%2528O%2529%255BC%2540%2540%255D3%2528O%2529OC%255BC%2540%2540%255D12%255BC%2540%2540H%255D1CC%255BC%2540%2540H%255D2%255BC%2540%2540H%255D%2528O%2529%255BC%2540%255D31C%2528%253DO%2529C2%253DC.png)
