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5-BETA-PREGNAN
SpectraBase Compound ID AuBCO8Zlk22
InChI InChI=1S/C21H36/c1-4-15-9-11-18-17-10-8-16-7-5-6-13-20(16,2)19(17)12-14-21(15,18)3/h15-19H,4-14H2,1-3H3/t15-,16-,17-,18-,19-,20-,21+/m0/s1
InChIKey JWMFYGXQPXQEEM-NUNROCCHSA-N
Mol Weight 288.5 g/mol
Molecular Formula C21H36
Exact Mass 288.281701 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Een5Nig3hRZ
Name 5.BETA.-PREGNANE
CAS Registry Number 481-26-5
Copyright Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 288.281701159 u
Formula C21H36
InChI InChI=1S/C21H36/c1-4-15-9-11-18-17-10-8-16-7-5-6-13-20(16,2)19(17)12-14-21(15,18)3/h15-19H,4-14H2,1-3H3/t15-,16-,17-,18-,19-,20-,21+/m0/s1
InChIKey JWMFYGXQPXQEEM-NUNROCCHSA-N
Molecular Weight 288.519 g/mol
Nominal Mass 288 u
Number of Peaks 91
SMILES C1CC[C@@]2([C@]3(CC[C@@]4([C@](CC[C@]4([C@@]3(CC[C@@]2(C1)[H])[H])[H])(CC)[H])C)[H])C
SPLASH splash10-01b9-6290000000-875b3df55348ca38a4b8
Source File Reference LMCM-80520-392V
Source of Spectrum Dr. Makin, London Hospital Medical College, UK
Synonyms PREGNANE (5S,8S,9S,10S,13R,14S,17S)-17-ethyl-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthrene
Wiley ID 4_2074