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Chemical structure of 12β-Acetoxyganoderic Acid θ

GC76367

12β-Acetoxyganoderic Acid θ

Also known as (E,4S,6R)-6-[(3S,5R,10S,12S,13R,14R,17R)-12-acetyloxy-3-hydroxy-4,4,10,13,14-pentamethyl-7,11,15-trioxo-1,2,3,5,6,12,16,17-octahydrocyclopenta[a]phenanthren-17-yl]-4-hydroxy-2-methylhept-2-enoic acid

12β-Acetoxyganoderic Acid θ is a triterpenoid that can be isolated from G· lucidum

ChemicalCAS2374206-90-1MW572.69FormulaC32H44O9
CAS number
2374206-90-1
Molecular weight
572.69
Formula
C32H44O9
Solubility
DMSO: ≥ 100 mg/mL (174·61 mM)
InChIKey
BKJXUOMYUFTMPD-BQZQCQLOSA-N
Catalogue number
GC76367
Brand
GLPBIO
Computed properties PubChem CID 168679777 · XLogP 2.8 · TPSA 155 Ų · H-bond donors 3
XLogP
2.8
TPSA
155 Ų
H-bond donors
3
H-bond acceptors
9
Rotatable bonds
7
Heavy atoms
41

SMILES C[C@H](C[C@@H](/C=C(\C)/C(=O)O)O)[C@H]1CC(=O)[C@@]2([C@@]1([C@@H](C(=O)C3=C2C(=O)C[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)OC(=O)C)C)C

Computed descriptors from PubChem (CID 168679777), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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