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ANDROST-4-ENE-2.ALPHA.,17.BETA.-DIOL-3-ONE-2.ALPHA.,17.BETA.-DI-ACETATE
SpectraBase Compound ID GSPZ8xKbJiB
InChI InChI=1S/C23H32O5/c1-13(24)27-20-12-23(4)15(11-19(20)26)5-6-16-17-7-8-21(28-14(2)25)22(17,3)10-9-18(16)23/h11,16-18,20-21H,5-10,12H2,1-4H3/t16-,17-,18-,20+,21-,22-,23-/m0/s1
InChIKey XEXPFKWHLWMBQT-JZYPGELDSA-N
Mol Weight 388.5 g/mol
Molecular Formula C23H32O5
Exact Mass 388.224974 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Fph0JhuyKMu
Name ANDROST-4-ENE-2.ALPHA.,17.BETA.-DIOL-3-ONE-2.ALPHA.,17.BETA.-DI-ACETATE
CAS Registry Number 21936-08-3
Copyright Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 388.224974125 u
Formula C23H32O5
InChI InChI=1S/C23H32O5/c1-13(24)27-20-12-23(4)15(11-19(20)26)5-6-16-17-7-8-21(28-14(2)25)22(17,3)10-9-18(16)23/h11,16-18,20-21H,5-10,12H2,1-4H3/t16-,17-,18-,20+,21-,22-,23-/m0/s1
InChIKey XEXPFKWHLWMBQT-JZYPGELDSA-N
Molecular Weight 388.504 g/mol
Nominal Mass 388 u
Number of Peaks 84
SMILES C1([C@@](C[C@@]2([C@]3(CC[C@@]4([C@](CC[C@]4([C@@]3(CCC2=C1)[H])[H])(OC(C)=O)[H])C)[H])C)(OC(C)=O)[H])=O
SPLASH splash10-0udi-4739000000-8f7bcddedb58873ebfbb
Source File Reference LMCM-20796-958N
Source of Spectrum Dr. Makin, London Hospital Medical College, UK
Synonyms 17-(ACETYLOXY)-3-OXOANDROST-4-EN-2-YL ACETATE (2R,8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-2,17-diyl diacetate
Wiley ID 4_2514