2-{4,6'-dihydroxy-2',5',5',8'a-tetramethyl-6-oxo-3,3',4',4'a,5',6,6',7,7',8,8',8'a-dodecahydro-2'H-spiro[furo[2,3-e]isoindole-2,1'-naphthalen]-7-yl}-3-methylbutanoic acid
Structure Info
- Chemspace ID
- CSSB00161148231 (In-Stock Building Blocks)
- CAS
- 1219361-60-0
- IUPAC Name
- 2-{4,6'-dihydroxy-2',5',5',8'a-tetramethyl-6-oxo-3,3',4',4'a,5',6,6',7,7',8,8',8'a-dodecahydro-2'H-spiro[furo[2,3-e]isoindole-2,1'-naphthalen]-7-yl}-3-methylbutanoic acid
- Mol formula
- C28H39NO6
- Mol weight
- 486 Da
- Catalog Number(s)
- AD275405, AKOS040739315, CSC161148231, NP-008546, T130242
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 4.44
- Heavy atoms count
- 35
- Rotatable bond count
- 3
- Number of rings
- 5
- Carbon bond saturation, Fsp3
- 0.714
- Polar surface area (Å)
- 107
- Hydrogen bond acceptors count
- 6
- Hydrogen bond donors count
- 3
![Chemical structure of 2-{4,6'-dihydroxy-2',5',5',8'a-tetramethyl-6-oxo-3,3',4',4'a,5',6,6',7,7',8,8',8'a-dodecahydro-2'H-spiro[furo[2,3-e]isoindole-2,1'-naphthalen]-7-yl}-3-methylbutanoic acid (C28H39NO6) - CSSB00161148231](/st/structure/200/be432e1fe84d992b8a08726cc8aadc50/CC%2528C%2529C%2528N1CC2%253DC3OC4%2528CC3%253DC%2528O%2529C%253DC2C1%253DO%2529C%2528C%2529CCC1C%2528C%2529%2528C%2529C%2528O%2529CCC41C%2529C%2528O%2529%253DO.png "C28H39NO6")
- Zoom the structure
- CSSB00161148231
Items Overall 1 item from 1 supplier
| Supplier | Lead time | Ships from | Purity | Pack | Price, $ | Qty |
|---|---|---|---|---|---|---|
| Advanced ChemBlocks CN | 10 days | China To: | 97 | 5 mg | 1,640.00 | |
Description: 2-(4,6'-diHydroxy-2',5',5',8a'-tetramethyl-6-oxo-3',4',4a',5',6,6',7',8,8',8a'-decahydro-2'H-spiro[furo[2,3-e]isoindole-2,1'-naphthalen]-7(3H)-yl)-3-methylbutanoic acid; CAS: 1219361-60-0 | ||||||
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Substructure Analogs
![Chemical structure of methyl 2-{4,6'-dihydroxy-2',5',5',8'a-tetramethyl-6-oxo-3,3',4',4'a,5',6,6',7,7',8,8',8'a-dodecahydro-2'H-spiro[furo[2,3-e]isoindole-2,1'-naphthalen]-7-yl}-3-methylbutanoate - CSSB06629247654](/st/structure/200/2dbdafb149fb16fbe87643c838aeb8a5/COC%2528%253DO%2529C%2528C%2528C%2529C%2529N1Cc2c3OC4%2528Cc3c%2528O%2529cc2C1%253DO%2529C%2528C%2529CCC1C%2528C%2529%2528C%2529C%2528O%2529CCC41C.png)
Similarity Analogs
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![Chemical structure of (2R,2'R,6'R,8'aS)-4,6'-dihydroxy-7-(2-hydroxyethyl)-2',5',5',8'a-tetramethyl-3,3',4',4'a,5',6,6',7,7',8,8',8'a-dodecahydro-2'H-spiro[furo[2,3-e]isoindole-2,1'-naphthalen]-6-one - CSSB00159277811](/st/structure/200/1a04057c84448013810c108e9b0d85a8/C%255BC%2540%2540H%255D1CCC2C%2528C%2529%2528C%2529%255BC%2540H%255D%2528O%2529CC%255BC%2540%255D2%2528C%2529%255BC%2540%2540%255D11CC2%253DC%2528O1%2529C1%253DC%2528C%253DC2O%2529C%2528%253DO%2529N%2528CCO%2529C1.png)
![Chemical structure of (1R,2R,4aS,6R,8aS)-6,7'-dihydroxy-2,5,5,8a-tetramethyl-3,4,4a,5,6,7,8,8a-octahydro-2H-3',11'-dioxaspiro[naphthalene-1,4'-tricyclo[7.3.0.0²,⁶]dodecane]-1'(9'),2'(6'),7'-trien-10'-one - CSSB00137410689](/st/structure/200/d7bb1d771e68f82c2acad20f194d0af9/C%255BC%2540%2540H%255D1CC%255BC%2540H%255D2C%2528C%2529%2528C%2529%255BC%2540H%255D%2528O%2529CC%255BC%2540%255D2%2528C%2529%255BC%2540%2540%255D11CC2%253DC%2528O1%2529C1%253DC%2528C%253DC2O%2529C%2528%253DO%2529OC1.png)
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![Chemical structure of (2R,2'R,4'aS,6'R,8'aS)-4,6'-dihydroxy-2',5',5',8'a-tetramethyl-3,3',4',4'a,5',6,6',7,7',8,8',8'a-dodecahydro-2'H-spiro[furo[2,3-e]isoindole-2,1'-naphthalen]-6-one - CSSB00137410692](/st/structure/200/da09bfc82c7ca64e9831a93af95e2baa/C%255BC%2540%2540H%255D1CC%255BC%2540H%255D2C%2528C%2529%2528C%2529%255BC%2540H%255D%2528O%2529CC%255BC%2540%255D2%2528C%2529%255BC%2540%2540%255D11CC2%253DC%2528O1%2529C1%253DC%2528C%253DC2O%2529C%2528%253DO%2529NC1.png)
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