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Chemical structure of Polyporusterone B

GC61198

Polyporusterone B

Also known as (2S,3R,5R,9R,10R,13R,14S,17S)-17-[(2R,3R)-2,3-dihydroxy-6-methyl-5-methylideneheptan-2-yl]-2,3,14-trihydroxy-10,13-dimethyl-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one

Polyporusterone B is a triterpene carboxylic acid isolated from Polyporus umbellatus Fries

ChemicalCAS141360-89-6MW476.65FormulaC28H44O6
CAS number
141360-89-6
Molecular weight
476.65
Formula
C28H44O6
Solubility
DMSO ： 50 mg/mL (104·90 mM; Need ultrasonic)
InChIKey
OQDKHYZVFZGSRC-DWJOQFFMSA-N
Catalogue number
GC61198
Brand
GLPBIO
Computed properties PubChem CID 15168041 · XLogP 2.3 · TPSA 118 Ų · H-bond donors 5
XLogP
2.3
TPSA
118 Ų
H-bond donors
5
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
34

SMILES CC(C)C(=C)C[C@H]([C@@](C)([C@H]1CC[C@@]2([C@@]1(CC[C@H]3C2=CC(=O)[C@H]4[C@@]3(C[C@@H]([C@@H](C4)O)O)C)C)O)O)O

Computed descriptors from PubChem (CID 15168041), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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