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Chemical structure of (25R)-12α-Hydroxyspirost-4-en-3-one

GC68509

(25R)-12α-Hydroxyspirost-4-en-3-one

Also known as (1R,2S,4S,5'R,6R,7S,8R,9S,10S,12S,13R)-10-hydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-17-ene-6,2'-oxane]-16-one

(25R)-12α-Hydroxyspirost-4-en-3-one is a secondary metabolite produced by Nocardia globerula from Hecogenin

ChemicalCAS50888-50-1MW428.6FormulaC27H40O4
CAS number
50888-50-1
Molecular weight
428.6
Formula
C27H40O4
InChIKey
FTBCSMASEBPQAV-NGJIIWHQSA-N
Catalogue number
GC68509
Brand
GLPBIO
Computed properties PubChem CID 163321598 · XLogP 4.3 · TPSA 55.8 Ų · H-bond donors 1
XLogP
4.3
TPSA
55.8 Ų
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
0
Heavy atoms
31

SMILES C[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3([C@H](C[C@H]5[C@H]4CCC6=CC(=O)CC[C@]56C)O)C)C)OC1

Computed descriptors from PubChem (CID 163321598), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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