Products 481-10-7

CAS 481-10-7 is the registry number for Allopregnanolone Impurity 2. Offered by: Chemat Brand. Available pack sizes: on request.

Allopregnanolone Impurity 2
Chemat Brand
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  • Variants: 1
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Structural formula: {0} (CAS {1})

1-[(3R,5R,8R,9S,10S,13S,14S,16R,17R)-3,16-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone (CAS 481-10-7) is a chemical compound with the molecular formula C21H34O3 and a molecular weight of 334.5 g/mol. IUPAC name: 1-[(3R,5R,8R,9S,10S,13S,14S,16R,17R)-3,16-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone. InChIKey: FGDFFHLIMDMCJI-HEEAJRSSSA-N.

Identity
Molecular formulaC21H34O3
Molecular weight334.5 g/mol
IUPAC name1-[(3R,5R,8R,9S,10S,13S,14S,16R,17R)-3,16-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone
InChIKeyFGDFFHLIMDMCJI-HEEAJRSSSA-N
SMILESCC(=O)[C@H]1[C@@H](C[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)C)O

Computed by PubChem (NCBI)

Synonyms: 5beta-Pregnane-3alpha,16alpha-diol-20-one, 5beta-pregnan-3alpha,16alpha-diol-20-dione, Allopregnanolone Impurity 2, 3a,16a-dihydroxy-5b-pregnan-20-one
Related forms of this compound
1-[(3R,8R,9S,10S,13R,14S,16R,17R)-3,16-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone C21H34O3
1-[(3S,5S,8R,9S,10S,13S,14S,16R,17R)-3,16-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone C21H34O3
Isomers (same molecular formula)
methyl (5Z,8Z)-10-[3-[(Z)-oct-2-enyl]oxiran-2-yl]deca-5,8-dienoate C21H34O3
methyl 4-[3-[(2Z,5Z,8Z)-tetradeca-2,5,8-trienyl]oxiran-2-yl]butanoate C21H34O3
methyl (6E,8Z,11Z,14Z)-5-hydroxyicosa-6,8,11,14-tetraenoate C21H34O3
2-hydroxy-1-[(3S,5S,8R,9S,10S,13S,14S,17S)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone C21H34O3
2-hydroxy-1-[(3R,5S,8R,9S,10S,13S,14S,17S)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone C21H34O3
1-[(3R,5S,8S,9S,10S,11S,13S,14S,17S)-3,11-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone C21H34O3
1-[(3S,5S,6R,8R,9S,10R,13S,14S,17S)-3,6-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone C21H34O3
1-[(3R,5S,6S,8R,9S,10R,13S,14S,17S)-3,6-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone C21H34O3
1-[(3R,5S,8S,9S,10S,11R,13S,14S,17S)-3,11-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone C21H34O3
(3S,5S,8R,9S,10S,13S,14S,17R)-2,10,13,17-tetramethyl-3,4,5,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,16,17-triol C21H34O3