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16-(Acetyloxy)-17-oxoandrostan-3-yl acetate
SpectraBase Compound ID LvW2b94Uueh
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(21(23)26)28-14(2)25/h15-20H,5-12H2,1-4H3/t15?,16?,17?,18?,19?,20?,22-,23-/m0/s1
InChIKey YALOOLVBDYZGLY-XYXUOFQZSA-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 4tL4rI60g4
Name 16-(ACETYLOXY)-17-OXOANDROSTAN-3-YL ACETATE
CAS Registry Number 66791-84-2
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(21(23)26)28-14(2)25/h15-20H,5-12H2,1-4H3/t15?,16?,17?,18?,19?,20?,22-,23-/m0/s1
InChIKey YALOOLVBDYZGLY-XYXUOFQZSA-N
Molecular Weight 390.520 g/mol
Nominal Mass 390 u
Number of Peaks 294
SMILES C(C)(=O)OC1CC[C@@]2(C3CC[C@@]4(C(C(CC4C3CCC2C1)OC(=O)C)=O)C)C
SPLASH splash10-0ldl-7981000000-f4b722f5328bbeb10a03
Source File Reference LMCM-20459-894L
Source of Spectrum Prof. J. Seibl; ETH Zurich, Switzerland
Synonyms (2S,15S)-5-(acetyloxy)-2,15-dimethyl-14-oxotetracyclo[8.7.0.0(2,7).0(11,15)]heptadecan-13-yl acetate
Wiley ID 8_11170