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Chemical structure of Bryonolic acid

GC62878

Bryonolic acid

Also known as (2S,4aS,6aS,8aR,10S,12aS,14aS,14bR)-10-hydroxy-2,4a,6a,9,9,12a,14a-heptamethyl-1,3,4,5,6,7,8,8a,10,11,12,13,14,14b-tetradecahydropicene-2-carboxylic acid

Bryonolic acid is an active triterpenoid compound with immunomodulatory, anti-inflammatory, antioxidant and anticancer activities

ChemicalCAS24480-45-3MW456.7FormulaC30H48O3
CAS number
24480-45-3
Molecular weight
456.7
Formula
C30H48O3
InChIKey
BHVJSLPLFOAMEV-UHIFYLTQSA-N
Catalogue number
GC62878
Brand
GLPBIO
Computed properties PubChem CID 159970 · XLogP 7.2 · TPSA 57.5 Ų · H-bond donors 2
XLogP
7.2
TPSA
57.5 Ų
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
33

SMILES C[C@]12CC[C@](C[C@H]1[C@@]3(CCC4=C([C@]3(CC2)C)CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)O)C)C)(C)C(=O)O

Computed descriptors from PubChem (CID 159970), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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