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Chemical structure of Oleanonic acid

GC36798

Oleanonic acid

Also known as (4aS,6aR,6aS,6bR,8aR,12aR,14bS)-2,2,6a,6b,9,9,12a-heptamethyl-10-oxo-3,4,5,6,6a,7,8,8a,11,12,13,14b-dodecahydro-1H-picene-4a-carboxylic acid

Oleanonic acid (3-Oxooleanolic acid) is a triterpenoid, inhibits infection by HIV-1 in in vitro infected PBMC, naturally infected PBMC and monocyte/macrophages with EC50 of 22·7 mM, 24·6 mM and 57·4 mM, respectively

ChemicalCAS17990-42-0MW454.68FormulaC30H46O3
CAS number
17990-42-0
Molecular weight
454.68
Formula
C30H46O3
Solubility
DMSO： 100 mg/mL (219·93 mM); Water： ＜ 0·1 mg/mL (insoluble)
InChIKey
FMIMFCRXYXVFTA-FUAOEXFOSA-N
Catalogue number
GC36798
Brand
GLPBIO
Computed properties PubChem CID 12313704 · XLogP 7.2 · TPSA 54.4 Ų · H-bond donors 1
XLogP
7.2
TPSA
54.4 Ų
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
33

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

Computed descriptors from PubChem (CID 12313704), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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