(4aS,6aR,6bR,8aR,10S,12aR,12bR,14bS)-10-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-6a-({[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}methyl)-2,2,6b,9,9,12a-hexamethyl-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
- CSSS00159261320 (In-Stock Screening Compounds)
- MFCD
- MFCD20274877
- IUPAC Name
- (4aS,6aR,6bR,8aR,10S,12aR,12bR,14bS)-10-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-6a-({[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}methyl)-2,2,6b,9,9,12a-hexamethyl-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
- C48H60O10
- Mol weight
- 797 Da
- Catalog Number(s)
- AA00AKV5, AG00AKXX, ArZ-UP487476, BBP01965, CFN99683, CSC159261320, FS-10447, H63367, HY-N3221, LN04611143, TN4606, TX00AM3L, Y6160068, ZX-CY009252
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 10.17
- Heavy atoms count
- 58
- Rotatable bond count
- 10
- Number of rings
- 7
- Carbon bond saturation, Fsp3
- 0.562
- Polar surface area (Å)
- 171
- Hydrogen bond acceptors count
- 8
- Hydrogen bond donors count
- 5
- Zoom the structure
- CSSS00159261320
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