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Chemical structure of Arjunic acid

GC76331

Arjunic acid

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

Arjunic acid (Arjuntriterpenic acid) (compound 13) is a triterpenoid compound isolated from Sanguisorba officinalis L

ChemicalCAS31298-06-3MW488.7FormulaC30H48O5
CAS number
31298-06-3
Molecular weight
488.7
Formula
C30H48O5
InChIKey
WDPNZZSUCIZMSX-ZKFZOLPESA-N
Catalogue number
GC76331
Brand
GLPBIO
Computed properties PubChem CID 182035 · XLogP 5.3 · TPSA 98 Ų · H-bond donors 4
XLogP
5.3
TPSA
98 Ų
H-bond donors
4
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
35

SMILES C[C@@]12CCC3[C@@]([C@H]1CC=C4[C@]2(CC[C@@]5([C@@H]4CC(CC5)(C)C)C(=O)O)C)(C[C@H]([C@@H](C3(C)C)O)O)CO

Computed descriptors from PubChem (CID 182035), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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