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Cyclopropa[5,6]stigmast-22-en-3-one, 3',6-dihydro-, (5.beta.,6.alpha.,22E)-
SpectraBase Compound ID Bji6yvOT2nH
InChI InChI=1S/C30H48O/c1-7-21(19(2)3)9-8-20(4)25-10-11-26-24-16-22-17-30(22)18-23(31)12-15-29(30,6)27(24)13-14-28(25,26)5/h8-9,19-22,24-27H,7,10-18H2,1-6H3/b9-8+
InChIKey VYSRJZRBBTYHQA-CMDGGOBGSA-N
Mol Weight 424.7 g/mol
Molecular Formula C30H48O
Exact Mass 424.370516 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JeInjnjAFSL
Name Cyclopropa[5,6]stigmast-22-en-3-one, 3',6-dihydro-, (5.beta.,6.alpha.,22E)-
CAS Registry Number 53755-40-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H48O
InChI InChI=1S/C30H48O/c1-7-21(19(2)3)9-8-20(4)25-10-11-26-24-16-22-17-30(22)18-23(31)12-15-29(30,6)27(24)13-14-28(25,26)5/h8-9,19-22,24-27H,7,10-18H2,1-6H3/b9-8+
InChIKey VYSRJZRBBTYHQA-CMDGGOBGSA-N
Molecular Weight 424.713 g/mol
SMILES CCC(\C=C\C(C)C1CCC2C3CC4CC44CC(=O)CCC4(C)C3CCC12C)C(C)C
SPLASH splash10-053v-9621000000-817a88fa628a42b272e0
Source of Spectrum SD-1981-0-0
Synonyms 3-[(2E)-4-Ethyl-1,5-dimethyl-2-hexenyl]-3a,5b-dimethyltetradecahydro-1H-cyclopenta[a]cyclopropa[k]phenanthren-8(9H)-one
Wiley ID 59063