Pregnane-3,20-dione, 17,21-dihydroxy-16-methyl-, (5alpha,16alpha)- structure

Pregnane-3,20-dione, 17,21-dihydroxy-16-methyl-, (5alpha,16alpha)-

(5S,8R,9S,10S,13S,14S,16R,17R)-17-hydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-3-one

Also Known As: Pregnane-3,20-dione, 17,21-dihydroxy-16-methyl-, (5alpha,16alpha)-|17,21-Dihydroxy-16-methylpregnane-3,20-dione|17,21-Dihydroxy-16alpha-methyl-5alpha-pregnane-3,20-dione|(5S,8R,9S,10S,13S,14S,16R,17R)-17-hydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-3-one|(5S,8R,9S,10S,13S,14S,16R,17R)-17-HYDROXY-17-(2-HYDROXYACETYL)-10,13,1 6-TRIMETHYL-2,4,5,6,7,8,9,11,12,14,15,16-DODECAHYDRO-1H-CYCLOPENTA[A]P HENANTHREN-3-ONE

CAS: 81089-17-0
Molecular Formula C22H34O4
Molecular Weight 362.2457 g/mol
LogP 3.6
Topological Polar Surface Area 74.6 Ų
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 4
Rotatable Bonds 2
Exact Mass 362.2457
Monoisotopic Mass 362.2457
Heavy Atoms 26
Complexity 630.0

Chemical Identifiers

CAS Number 81089-17-0
SMILES C[C@@H]1C[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@@]4([C@H]3CC[C@@]2([C@]1(C(=O)CO)O)C)C
InChIKey DOMKOXUGRSATCY-ILTSXOTMSA-N

Product Overview

Pregnane-3,20-dione, 17,21-dihydroxy-16-methyl-, (5alpha,16alpha)- (CAS 81089-17-0), with molecular formula C22H34O4 and molecular weight 362.2457 g/mol. IUPAC: (5S,8R,9S,10S,13S,14S,16R,17R)-17-hydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-3-one.

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