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Chemical structure of Caulophyllogenin

GC60675

Caulophyllogenin

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

Caulophyllogenin is a triterpene saponin extracted from M

ChemicalCAS52936-64-8MW488.7FormulaC30H48O5
CAS number
52936-64-8
Molecular weight
488.7
Formula
C30H48O5
InChIKey
FABOBEOYNMHSHB-UAWZMHPWSA-N
Catalogue number
GC60675
Brand
GLPBIO
Computed properties PubChem CID 104361 · XLogP 6.2 · TPSA 98 Ų · H-bond donors 4
XLogP
6.2
TPSA
98 Ų
H-bond donors
4
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
35

SMILES C[C@]12CC[C@@H]([C@@]([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(C[C@H]([C@@]5([C@H]4CC(CC5)(C)C)C(=O)O)O)C)C)(C)CO)O

Computed descriptors from PubChem (CID 104361), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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