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5.alpha.-androstan-3.alpha.-ol-acetate
SpectraBase Compound ID LXVABLNnRKl
InChI InChI=1S/C21H34O2/c1-14(22)23-16-8-12-21(3)15(13-16)6-7-17-18-5-4-10-20(18,2)11-9-19(17)21/h15-19H,4-13H2,1-3H3/t15-,16+,17-,18-,19-,20-,21-/m0/s1
InChIKey WGHVRNVVQRMWRJ-TVWVXWENSA-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 IaBRfRike2A
Name 5.ALPHA.-ANDROSTAN-3.ALPHA.-OL(3.ALPHA.-ACETATE)
Copyright Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 318.255880333 u
Formula C21H34O2
InChI InChI=1S/C21H34O2/c1-14(22)23-16-8-12-21(3)15(13-16)6-7-17-18-5-4-10-20(18,2)11-9-19(17)21/h15-19H,4-13H2,1-3H3/t15-,16+,17-,18-,19-,20-,21-/m0/s1
InChIKey WGHVRNVVQRMWRJ-TVWVXWENSA-N
Molecular Weight 318.501 g/mol
Nominal Mass 318 u
Number of Peaks 78
SMILES [C@@]1(CC[C@@]2([C@]3(CC[C@@]4(CCC[C@]4([C@@]3(CC[C@]2(C1)[H])[H])[H])C)[H])C)(OC(C)=O)[H]
SPLASH splash10-0a4l-3490000000-94e84cea0ff23979aee3
Source File Reference LMCM-90758-827Z
Source of Spectrum Dr. Makin, London Hospital Medical College, UK
Synonyms ANDROSTAN-3-YL ACETATE (3R,5S,8S,9S,10S,13S,14S)-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-3-yl acetate
Wiley ID 4_31