(4aS,6aS,6bR,8aR,10R,11R,12aR,12bR,14bS)-11-hydroxy-10-{[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}-2,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylic acid
Structure Info
- Chemspace ID
- CSSS00159262387 (In-Stock Screening Compounds)
- CAS
- 35482-91-8
- MFCD
- MFCD21333515
- IUPAC Name
- (4aS,6aS,6bR,8aR,10R,11R,12aR,12bR,14bS)-11-hydroxy-10-{[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}-2,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylic acid
- Mol formula
- C39H54O6
- Mol weight
- 619 Da
- Catalog Number(s)
- AA00CN2P, AD275484, AG00CN5H, AR00CNUH, ArZ-UP482148, ArZ-UP482150, BBP05828, CFN92210, CSC159262387, FS-7585, H63781, HY-N7165A, TN6148, TX00COB5, ZX-CY003926
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 8.25
- Heavy atoms count
- 45
- Rotatable bond count
- 5
- Number of rings
- 6
- Carbon bond saturation, Fsp3
- 0.692
- Polar surface area (Å)
- 104
- Hydrogen bond acceptors count
- 5
- Hydrogen bond donors count
- 3
- Zoom the structure
- CSSS00159262387
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