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20(S)-(Hydroxymethyl)-4,4,14.alpha.-trimethylpregna-7,9(11)-dien-3.beta.-ol
SpectraBase Compound ID 5AgVJoMVJBC
InChI InChI=1S/C25H40O2/c1-16(15-26)17-9-13-25(6)19-7-8-20-22(2,3)21(27)11-12-23(20,4)18(19)10-14-24(17,25)5/h7,10,16-17,20-21,26-27H,8-9,11-15H2,1-6H3/t16-,17-,20?,21+,23-,24-,25+/m1/s1
InChIKey ORCLDYDMFAGPDD-PEKASDSSSA-N
Mol Weight 372.6 g/mol
Molecular Formula C25H40O2
Exact Mass 372.302831 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7BBiwwYJB7g
Name 20(S)-(Hydroxymethyl)-4,4,14.alpha.-trimethylpregna-7,9(11)-dien-3.beta.-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H40O2
InChI InChI=1S/C25H40O2/c1-16(15-26)17-9-13-25(6)19-7-8-20-22(2,3)21(27)11-12-23(20,4)18(19)10-14-24(17,25)5/h7,10,16-17,20-21,26-27H,8-9,11-15H2,1-6H3/t16-,17-,20?,21+,23-,24-,25+/m1/s1
InChIKey ORCLDYDMFAGPDD-PEKASDSSSA-N
Molecular Weight 372.593 g/mol
SMILES O[C@]1(CC[C@@]2(C=3C([C@]4([C@@]([C@@]([C@@](CO)(C)[H])(CC4)[H])(CC3)C)C)=CCC2C1(C)C)C)[H]
SPLASH splash10-00di-0369000000-8a161a02d0e77d2d5a64
Source of Spectrum G4-58-1226-5
Synonyms (2S,5S,11R,14R,15R)-14-[(2S)-1-hydroxypropan-2-yl]-2,6,6,11,15-pentamethyltetracyclo[8.7.0.0(2,7).0(11,15)]heptadeca-1(17),9-dien-5-ol
Wiley ID 1606009