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Chemical structure of 3-O-Acetyl-16α-hydroxytrametenolic acid

GC35115

3-O-Acetyl-16α-hydroxytrametenolic acid

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

3-O-Acetyl-16α-hydroxytrametenolic acid (Compound 3) is a triterpene found in Poria cocos, with anti-oxidant and anti-cancer activity

ChemicalCAS168293-13-8MW514.74FormulaC32H50O5
CAS number
168293-13-8
Molecular weight
514.74
Formula
C32H50O5
Solubility
Soluble in DMSO
InChIKey
SRDNLMOBFKJOSD-COLBUHOESA-N
Catalogue number
GC35115
Brand
GLPBIO
Computed properties PubChem CID 9958136 · XLogP 6.7 · TPSA 83.8 Ų · H-bond donors 2
XLogP
6.7
TPSA
83.8 Ų
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
37

SMILES CC(=CCC[C@H]([C@H]1[C@@H](C[C@@]2([C@@]1(CCC3=C2CCC4[C@@]3(CC[C@@H](C4(C)C)OC(=O)C)C)C)C)O)C(=O)O)C

Computed descriptors from PubChem (CID 9958136), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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