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PREGN-5-EN-3-YL ACETATE
SpectraBase Compound ID 8y91THjk9fE
InChI InChI=1S/C23H36O2/c1-5-16-7-9-20-19-8-6-17-14-18(25-15(2)24)10-12-23(17,4)21(19)11-13-22(16,20)3/h6,16,18-21H,5,7-14H2,1-4H3/t16-,18?,19?,20?,21?,22+,23-/m0/s1
InChIKey WJWDCRHIOOHQLQ-SCWKKMQMSA-N
Mol Weight 344.5 g/mol
Molecular Formula C23H36O2
Exact Mass 344.27153 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IzFD16U7YEk
Name PREGN-5-EN-3-YL ACETATE
Copyright Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 344.271530397 u
Formula C23H36O2
InChI InChI=1S/C23H36O2/c1-5-16-7-9-20-19-8-6-17-14-18(25-15(2)24)10-12-23(17,4)21(19)11-13-22(16,20)3/h6,16,18-21H,5,7-14H2,1-4H3/t16-,18?,19?,20?,21?,22+,23-/m0/s1
InChIKey WJWDCRHIOOHQLQ-SCWKKMQMSA-N
Molecular Weight 344.539 g/mol
Nominal Mass 344 u
Number of Peaks 208
SMILES C(C)(=O)OC1CC[C@@]2(C3CC[C@@]4([C@](CCC4C3CC=C2C1)(CC)[H])C)C
SPLASH splash10-001i-4940000000-8c72b1cc5e7eaa476017
Source File Reference LMCM-69397-401K
Source of Spectrum Prof. J. Seibl; ETH Zurich, Switzerland
Synonyms (2R,14S,15R)-14-ethyl-2,15-dimethyltetracyclo[8.7.0.0(2,7).0(11,15)]heptadec-7-en-5-yl acetate
Wiley ID 8_11546