24-Nor-5beta-cholane-3alpha,7alpha,12alpha-triol
(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-17-[(2R)-butan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,7,12-triol
Molecular Identity
24-Nor-5beta-cholane-3alpha,7alpha,12alpha-triol
(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-17-[(2R)-butan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,7,12-triol
PubChem CID: 445514
24-Nor-5beta-cholane-3alpha,7alpha,12alpha-triol is a corticosteroid hormone.
2D Structure
Properties
C23H40O3
Molecular Formula
364.60
Molecular Weight
g/mol
364.2977
Exact Mass
Da
4.8
XLogP
Drug-like (Lipinski: < 5)
60.7
TPSA
Good oral absorption (< 140 A²)
3
H-Bond Donors
3
H-Bond Acceptors
536
Complexity
SMILES
Canonical SMILES
SMILES: CCC(C)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)CIsomeric SMILES
SMILES: CC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)CSynonyms(8)
24-Nor-5beta-cholane-3alpha,7alpha,12alpha-triol5-BETA-24-NOR-CHOLANE-3(ALPHA),7(ALPHA),12(ALPHA)-TRIOLLMST04060008SCHEMBL13932421CHEBI:168045(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-17-[(2R)-butan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,7,12-triol(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-10,13-dimethyl-17-[(1R)-1-methylpropyl]hexadecahydro-1H-cyclopenta[a]phenanthrene-3,7,12-triol (non-preferred name)BNC
Data from PubChem (NCBI)
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Molecular Structure
24-Nor-5beta-cholane-3alpha,7alpha,12alpha-triol
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Drug Network
Trials and conditions connected to 24-Nor-5beta-cholane-3alpha,7alpha,12alpha-triol
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