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17-(Acetyloxy)-16-oxoandrostan-3-yl acetate
SpectraBase Compound ID 3eyT6y8Xjrf
InChI InChI=1S/C23H34O5/c1-13(24)27-16-7-9-22(3)15(11-16)5-6-17-18(22)8-10-23(4)19(17)12-20(26)21(23)28-14(2)25/h15-19,21H,5-12H2,1-4H3/t15?,16?,17?,18?,19?,21?,22-,23-/m0/s1
InChIKey FXIBWMJBQIDNKR-UTRQWEGRSA-N
Mol Weight 390.5 g/mol
Molecular Formula C23H34O5
Exact Mass 390.240624 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID SVVPjaPPz8
Name 17-(ACETYLOXY)-16-OXOANDROSTAN-3-YL ACETATE
CAS Registry Number 77880-39-8
Copyright Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 390.240624190 u
Formula C23H34O5
InChI InChI=1S/C23H34O5/c1-13(24)27-16-7-9-22(3)15(11-16)5-6-17-18(22)8-10-23(4)19(17)12-20(26)21(23)28-14(2)25/h15-19,21H,5-12H2,1-4H3/t15?,16?,17?,18?,19?,21?,22-,23-/m0/s1
InChIKey FXIBWMJBQIDNKR-UTRQWEGRSA-N
Molecular Weight 390.520 g/mol
Nominal Mass 390 u
Number of Peaks 254
SMILES C(C)(=O)OC1CC[C@@]2(C3CC[C@@]4(C(C(CC4C3CCC2C1)=O)OC(=O)C)C)C
SPLASH splash10-00kg-9763000000-b874a73cbcd0db02d2eb
Source File Reference LMCM-76709-878S
Source of Spectrum Prof. J. Seibl; ETH Zurich, Switzerland
Synonyms (2S,15S)-5-(acetyloxy)-2,15-dimethyl-13-oxotetracyclo[8.7.0.0(2,7).0(11,15)]heptadecan-14-yl acetate
Wiley ID 8_10544