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Chemical structure of (3β)-3-Hydroxyoleanan-12-one

GC71893

(3β)-3-Hydroxyoleanan-12-one

Also known as (3S,4aR,6aR,6bR,8aR,12aS,14aR,14bR)-3-hydroxy-4,4,6a,6b,8a,11,11,14b-octamethyl-2,3,4a,5,6,6a,7,8,9,10,12,12a,14,14a-tetradecahydro-1H-picen-13-one

(3β)-3-Hydroxyoleanan-12-one (compound 23) is a natural product that can be found in Codonopsis ovata

ChemicalCAS5916-18-7MW442.72FormulaC30H50O2
CAS number
5916-18-7
Molecular weight
442.72
Formula
C30H50O2
InChIKey
DCTXBCZRIAXTPK-ZNKNEZHLSA-N
Catalogue number
GC71893
Brand
GLPBIO
Computed properties PubChem CID 171370415 · XLogP 8.5 · TPSA 37.3 Ų · H-bond donors 1
XLogP
8.5
TPSA
37.3 Ų
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
0
Heavy atoms
32

SMILES C[C@@]12CC[C@@]3(C([C@@H]1CC(CC2)(C)C)C(=O)C[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)O)C)C)C

Computed descriptors from PubChem (CID 171370415), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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