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Chemical structure of Poricoic acid B

GC36949

Poricoic acid B

Also known as 2-[(2R,3R,3aR,6S,7S,9bR)-6-(2-carboxyethyl)-2-hydroxy-3a,6,9b-trimethyl-7-prop-1-en-2-yl-1,2,3,4,7,8-hexahydrocyclopenta[a]naphthalen-3-yl]-6-methylhept-5-enoic acid

Poricoic acid B, isolated from Poria cocos, possesses anti-tumor activity

ChemicalCAS137551-39-4MW484.67FormulaC30H44O5
CAS number
137551-39-4
Molecular weight
484.67
Formula
C30H44O5
Solubility
Soluble in DMSO
InChIKey
NXAZWYWJZDFISF-RWENVMIDSA-N
Catalogue number
GC36949
Brand
GLPBIO
Computed properties PubChem CID 3086648 · XLogP 5.9 · TPSA 94.8 Ų · H-bond donors 3
XLogP
5.9
TPSA
94.8 Ų
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
9
Heavy atoms
35

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

Computed descriptors from PubChem (CID 3086648), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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