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5-ALPHA-ANDROSTAN-17-BETA-YL-ACETATE
SpectraBase Compound ID 5vD3Z4UBh8R
InChI InChI=1S/C21H34O2/c1-14(22)23-19-10-9-17-16-8-7-15-6-4-5-12-20(15,2)18(16)11-13-21(17,19)3/h15-19H,4-13H2,1-3H3/t15-,16+,17+,18+,19+,20+,21+/m1/s1
InChIKey QRRJQHVSHGOFLL-MQWPULPWSA-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 EFY8zicINco
Name 5.ALPHA.-ANDROSTAN-17.BETA.-OL(17.BETA.-ACETATE)
CAS Registry Number 1236-49-3
Copyright Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 318.255880333 u
Formula C21H34O2
InChI InChI=1S/C21H34O2/c1-14(22)23-19-10-9-17-16-8-7-15-6-4-5-12-20(15,2)18(16)11-13-21(17,19)3/h15-19H,4-13H2,1-3H3/t15-,16+,17+,18+,19+,20+,21+/m1/s1
InChIKey QRRJQHVSHGOFLL-MQWPULPWSA-N
Molecular Weight 318.501 g/mol
Nominal Mass 318 u
Number of Peaks 112
SMILES C1CC[C@@]2([C@]3(CC[C@@]4([C@](CC[C@]4([C@@]3(CC[C@]2(C1)[H])[H])[H])(OC(C)=O)[H])C)[H])C
SPLASH splash10-066u-9771000000-11d8a1f5ecba44650244
Source File Reference LMCM-37969-321A
Source of Spectrum Dr. Makin, London Hospital Medical College, UK
Synonyms ANDROSTAN-17-OL, ACETATE, (5.ALPHA.,17.BETA.)- ANDROSTAN-17-YL ACETATE (5R,8R,9S,10S,13S,14S,17S)-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl acetate
Wiley ID 4_1159