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Chemical structure of Dehydropachymic acid

GC38528

Dehydropachymic acid

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

Dehydropachymic acid is one of the major triterpenes isolated from Poria cocos

ChemicalCAS77012-31-8MW526.75FormulaC33H50O5
CAS number
77012-31-8
Molecular weight
526.75
Formula
C33H50O5
Solubility
Soluble in DMSO
InChIKey
RWIALJIVPUCERT-MTHWCOGXSA-N
Catalogue number
GC38528
Brand
GLPBIO
Computed properties PubChem CID 12133289 · XLogP 6.9 · TPSA 83.8 Ų · H-bond donors 2
XLogP
6.9
TPSA
83.8 Ų
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
8
Heavy atoms
38

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

Computed descriptors from PubChem (CID 12133289), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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