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1-Methyl-19-norcholesta-1,3,5(10)-trien-6-one

View entire compound with spectra: 1 MS (GC)

1-Methyl-19-norcholesta-1,3,5(10)-trien-6-one
SpectraBase Compound ID AcHR7AZuyCl
InChI InChI=1S/C27H40O/c1-17(2)8-6-9-18(3)23-12-13-24-22-16-25(28)21-11-7-10-19(4)26(21)20(22)14-15-27(23,24)5/h7,10-11,17-18,20,22-24H,6,8-9,12-16H2,1-5H3/t18-,20+,22-,23-,24+,27-/m1/s1
InChIKey BOAKFBNMDXYNMG-QGDKIDQASA-N
Mol Weight 380.6 g/mol
Molecular Formula C27H40O
Exact Mass 380.307916 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IVUxDmU70nZ
Name 1-Methyl-19-norcholesta-1,3,5(10)-trien-6-one
Alternate Name(s) (17beta)-17-[(1R)-1,5-dimethylhexyl]-1-methylestra-1,3,5(10)-trien-6-one
CAS Registry Number 71472-80-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H40O
InChI InChI=1S/C27H40O/c1-17(2)8-6-9-18(3)23-12-13-24-22-16-25(28)21-11-7-10-19(4)26(21)20(22)14-15-27(23,24)5/h7,10-11,17-18,20,22-24H,6,8-9,12-16H2,1-5H3/t18-,20+,22-,23-,24+,27-/m1/s1
InChIKey BOAKFBNMDXYNMG-QGDKIDQASA-N
Molecular Weight 380.616 g/mol
SMILES [C@@]12([C@]([C@@]3(CC(=O)c4c([C@]3(CC2)[H])c(ccc4)C)[H])(CC[C@@]1([C@@](CCCC(C)C)(C)[H])[H])[H])C
SPLASH splash10-00w9-0669000000-4b6f527aac9b92aa1ccc
Source of Spectrum W5-1989-37872-27664
Wiley ID 1360013