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Chemical structure of Precyasterone

GC60299

Precyasterone

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

Precyasterone is a natural product isolated from the dried roots of Cyathula capitata

ChemicalCAS27335-85-9MW520.65FormulaC29H44O8
CAS number
27335-85-9
Molecular weight
520.65
Formula
C29H44O8
InChIKey
RPCTUYZLPGGPJD-YSEUJXISSA-N
Catalogue number
GC60299
Brand
GLPBIO
Computed properties PubChem CID 102004875 · XLogP 1 · TPSA 145 Ų · H-bond donors 5
XLogP
1
TPSA
145 Ų
H-bond donors
5
H-bond acceptors
8
Rotatable bonds
3
Heavy atoms
37

SMILES C[C@H]1[C@H](C[C@@H](OC1=O)[C@@](C)([C@H]2CC[C@@]3([C@@]2(CC[C@H]4C3=CC(=O)[C@H]5[C@@]4(C[C@@H]([C@@H](C5)O)O)C)C)O)O)[C@@H](C)O

Computed descriptors from PubChem (CID 102004875), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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