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3-beta-Hydroxy-5-alpha-androst-1-en-17-one AC
SpectraBase Compound ID 1E9Aa5g0EF4
InChI InChI=1S/C21H30O3/c1-13(22)24-15-8-10-20(2)14(12-15)4-5-16-17-6-7-19(23)21(17,3)11-9-18(16)20/h8,10,14-18H,4-7,9,11-12H2,1-3H3/t14-,15-,16?,17?,18?,20-,21-/m0/s1
InChIKey UUPBUBQBOAZYGB-TVKYAZAPSA-N
Mol Weight 330.47 g/mol
Molecular Formula C21H30O3
Exact Mass 330.219495 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B2ITAF94yxs
Name 3-beta-Hydroxy-5-alpha-androst-1-en-17-one AC
Classification Designer steroid derivative
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 330.219494823 u
Formula C21H30O3
InChI InChI=1S/C21H30O3/c1-13(22)24-15-8-10-20(2)14(12-15)4-5-16-17-6-7-19(23)21(17,3)11-9-18(16)20/h8,10,14-18H,4-7,9,11-12H2,1-3H3/t14-,15-,16?,17?,18?,20-,21-/m0/s1
InChIKey UUPBUBQBOAZYGB-TVKYAZAPSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 330.468 g/mol
Nominal Mass 330 u
Quality 991
Retention Index 2624
SMILES [C@@]12([C@](C[C@](C=C2)(OC(=O)C)[H])(CCC2C1CC[C@]1(C2CCC1=O)C)[H])C
SPLASH splash10-0abc-4940000000-678d7d4900b67cd364be
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 1-DHEA AC (5aS,7R,9aR,11aS)-9a,11a-dimethyl-1-oxo-2,3,3a,3b,4,5,5a,6,7,9a,9b,10,11,11a-tetradecahydro-\r1H-cyclopenta[a]phenanthren-7-yl acetate
Technique GC/MS
Wiley ID DD2024_011522