(4aS,6aS,6bR,8aR,10S,12aR,12bR,14bS)-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
- CSSS00159261838 (In-Stock Screening Compounds)
- MFCD
- MFCD26406104
- IUPAC Name
- (4aS,6aS,6bR,8aR,10S,12aR,12bR,14bS)-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
- C39H54O5
- Mol weight
- 603 Da
- Catalog Number(s)
- AG00ANVU, AT15381, ArZ-UP483960, BBP02769, C756318, CFN96043, CSC159261838, FS-8631, H63178, HY-N1863, LN04609538, TN2976, Y6126352, ZX-CY005736
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 9.33
- Heavy atoms count
- 44
- Rotatable bond count
- 5
- Number of rings
- 6
- Carbon bond saturation, Fsp3
- 0.69230769230769
- Polar surface area (Å)
- 84
- Hydrogen bond acceptors count
- 4
- Hydrogen bond donors count
- 2
- Zoom the structure
- CSSS00159261838
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