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20-(FORMYLOXY)PREGN-5-EN-3-YL ACETATE
SpectraBase Compound ID 2nyx5pgscZD
InChI InChI=1S/C24H36O4/c1-15(27-14-25)20-7-8-21-19-6-5-17-13-18(28-16(2)26)9-11-23(17,3)22(19)10-12-24(20,21)4/h5,14-15,18-22H,6-13H2,1-4H3/t15?,18?,19?,20-,21?,22?,23+,24-/m1/s1
InChIKey BBKJYWZQHIFENA-DABDUNMCSA-N
Mol Weight 388.5 g/mol
Molecular Formula C24H36O4
Exact Mass 388.26136 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 97t2UF35SVi
Name 20-(FORMYLOXY)PREGN-5-EN-3-YL ACETATE
CAS Registry Number 76920-43-9
Copyright Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 388.261359635 u
Formula C24H36O4
InChI InChI=1S/C24H36O4/c1-15(27-14-25)20-7-8-21-19-6-5-17-13-18(28-16(2)26)9-11-23(17,3)22(19)10-12-24(20,21)4/h5,14-15,18-22H,6-13H2,1-4H3/t15?,18?,19?,20-,21?,22?,23+,24-/m1/s1
InChIKey BBKJYWZQHIFENA-DABDUNMCSA-N
Molecular Weight 388.548 g/mol
Nominal Mass 388 u
Number of Peaks 222
SMILES C(C)(=O)OC1CC[C@@]2(C3CC[C@@]4([C@](CCC4C3CC=C2C1)(C(C)OC=O)[H])C)C
SPLASH splash10-004i-4924000000-efe6c55488e2de3e3892
Source File Reference LMCM-11921-378Z
Source of Spectrum Prof. J. Seibl; ETH Zurich, Switzerland
Synonyms (2R,14S,15S)-14-[1-(formyloxy)ethyl]-2,15-dimethyltetracyclo[8.7.0.0(2,7).0(11,15)]heptadec-7-en-5-yl acetate
Wiley ID 8_11067