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Chemical structure of 16α-Hydroxydehydrotrametenolic acid

GC35059

16α-Hydroxydehydrotrametenolic acid

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

16α-Hydroxydehydrotrametenolic acid is a triterpene Acid in fermented mycelia of edible fungus Poria cocos

ChemicalCAS176390-66-2MW470.68FormulaC30H46O4
CAS number
176390-66-2
Molecular weight
470.68
Formula
C30H46O4
Solubility
Soluble in DMSO
InChIKey
XSLKAKROJKMHIT-WIUKAADNSA-N
Catalogue number
GC35059
Brand
GLPBIO
Computed properties PubChem CID 10743008 · XLogP 5.8 · TPSA 77.8 Ų · H-bond donors 3
XLogP
5.8
TPSA
77.8 Ų
H-bond donors
3
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
34

SMILES CC(=CCC[C@H]([C@H]1[C@@H](C[C@@]2([C@@]1(CC=C3C2=CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)C)C)O)C(=O)O)C

Computed descriptors from PubChem (CID 10743008), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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