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Chemical structure of Quillaic acid

GC37060

Quillaic acid

Also known as (4aR,5R,6aR,6aS,6bR,8aR,9S,10S,12aR,14bS)-9-formyl-5,10-dihydroxy-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

A triterpene saponin with diverse biological activities

ChemicalCAS631-01-6MW486.68FormulaC30H46O5
CAS number
631-01-6
Molecular weight
486.68
Formula
C30H46O5
Solubility
DMSO： ≥ 41 mg/mL (84·24 mM)
InChIKey
MQUFAARYGOUYEV-UAWZMHPWSA-N
Catalogue number
GC37060
Brand
GLPBIO
Computed properties PubChem CID 101810 · XLogP 6.1 · TPSA 94.8 Ų · H-bond donors 3
XLogP
6.1
TPSA
94.8 Ų
H-bond donors
3
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)C=O)O

Computed descriptors from PubChem (CID 101810), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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