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5-ALPHA-ANDROSTAN-6-BETA-YL-ACETATE
SpectraBase Compound ID BrT88SeRsJ1
InChI InChI=1S/C21H34O2/c1-14(22)23-19-13-15-16-8-6-10-20(16,2)12-9-17(15)21(3)11-5-4-7-18(19)21/h15-19H,4-13H2,1-3H3/t15-,16-,17-,18+,19+,20-,21+/m0/s1
InChIKey FSSDJELRFAUPNU-HFYYJUFZSA-N
Mol Weight 318.5 g/mol
Molecular Formula C21H34O2
Exact Mass 318.25588 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2wk8o1vtbSv
Name 5.ALPHA.-ANDROSTAN-6.BETA.-OL(6.BETA.-ACETATE)
CAS Registry Number 35487-68-4
Copyright Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 318.255880333 u
Formula C21H34O2
InChI InChI=1S/C21H34O2/c1-14(22)23-19-13-15-16-8-6-10-20(16,2)12-9-17(15)21(3)11-5-4-7-18(19)21/h15-19H,4-13H2,1-3H3/t15-,16-,17-,18+,19+,20-,21+/m0/s1
InChIKey FSSDJELRFAUPNU-HFYYJUFZSA-N
Molecular Weight 318.501 g/mol
Nominal Mass 318 u
Number of Peaks 73
SMILES C1CC[C@@]2([C@]3(CC[C@@]4(CCC[C@]4([C@@]3(C[C@]([C@]2(C1)[H])(OC(C)=O)[H])[H])[H])C)[H])C
SPLASH splash10-052f-2490000000-667634d9969c966e9852
Source File Reference LMCM-33752-611D
Source of Spectrum Dr. Makin, London Hospital Medical College, UK
Synonyms ANDROSTAN-6-YL ACETATE (5S,6R,8S,9S,10R,13S,14S)-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-6-yl acetate
Wiley ID 4_2341