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Pregna-5,20-diene-3.alpha.,7.alpha.,11.alpha.-triol - 3.alpha.,7.alpha.-Diacetate

View entire compound with spectra: 1 MS (GC)

Pregna-5,20-diene-3.alpha.,7.alpha.,11.alpha.-triol - 3.alpha.,7.alpha.-Diacetate
SpectraBase Compound ID 3VPC90ppDah
InChI InChI=1S/C25H36O5/c1-6-16-7-8-19-22-21(30-15(3)27)12-17-11-18(29-14(2)26)9-10-24(17,4)23(22)20(28)13-25(16,19)5/h6,12,16,18-23,28H,1,7-11,13H2,2-5H3/t16-,18+,19-,20+,21+,22+,23-,24-,25+/m0/s1
InChIKey IZVLVRXBACPBKU-IYKBIUFYSA-N
Mol Weight 416.6 g/mol
Molecular Formula C25H36O5
Exact Mass 416.256274 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EogbYUlXK5T
Name Pregna-5,20-diene-3.alpha.,7.alpha.,11.alpha.-triol - 3.alpha.,7.alpha.-Diacetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H36O5
InChI InChI=1S/C25H36O5/c1-6-16-7-8-19-22-21(30-15(3)27)12-17-11-18(29-14(2)26)9-10-24(17,4)23(22)20(28)13-25(16,19)5/h6,12,16,18-23,28H,1,7-11,13H2,2-5H3/t16-,18+,19-,20+,21+,22+,23-,24-,25+/m0/s1
InChIKey IZVLVRXBACPBKU-IYKBIUFYSA-N
Molecular Weight 416.558 g/mol
SMILES O[C@]1([C@@]2([C@@]3(C(=C[C@@](OC(=O)C)([C@]2([C@@]2(CC[C@@]([C@]2(C1)C)(C=C)[H])[H])[H])[H])C[C@](OC(=O)C)(CC3)[H])C)[H])[H]
SPLASH splash10-01ot-2649000000-e664be6f4ab0b8d238c1
Source of Spectrum G4-60-576-5
Synonyms (3alpha,7alpha,11alpha)-3-(acetyloxy)-11-hydroxypregna-5,20-dien-7-yl acetate Acetic acid[(3R,7S,8S,9S,10R,11R,13R,14S,17R)-7-acetoxy-11-hydroxy-10,13-dimethyl-17-vinyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]ester Acetic acid[(3R,7S,8S,9S,10R,11R,13R,14S,17R)-7-acetyloxy-17-ethenyl-11-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]ester [(3R,7S,8S,9S,10R,11R,13R,14S,17R)-7-acetoxy-11-hydroxy-10,13-dimethyl-17-vinyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]acetate [(3R,7S,8S,9S,10R,11R,13R,14S,17R)-7-acetyloxy-17-ethenyl-10,13-dimethyl-11-oxidanyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]ethanoate [(3R,7S,8S,9S,10R,11R,13R,14S,17R)-7-acetyloxy-17-ethenyl-11-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]acetate Acetic acid [(3R,7S,8S,9S,10R,11R,13R,14S,17R)-7-acetyloxy-17-ethenyl-11-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester [(3R,7S,8S,9S,10R,11R,13R,14S,17R)-7-acetyloxy-17-ethenyl-11-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate [(3R,7S,8S,9S,10R,11R,13R,14S,17R)-7-acetoxy-11-hydroxy-10,13-dimethyl-17-vinyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate [(3R,7S,8S,9S,10R,11R,13R,14S,17R)-7-acetyloxy-17-ethenyl-10,13-dimethyl-11-oxidanyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ethanoate
Wiley ID 1606726