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5,10-seco-3'H-cyclopropa[2,3]cholestan-1(10)-en-5-one

View entire compound with spectra: 1 MS (GC)

5,10-seco-3'H-cyclopropa[2,3]cholestan-1(10)-en-5-one
SpectraBase Compound ID 64jV4OyuDFR
InChI InChI=1S/C28H46O/c1-18(2)7-6-8-19(3)26-11-12-27-25-10-9-23(29)17-22-16-21(22)15-20(4)24(25)13-14-28(26,27)5/h15,18-19,21-22,24-27H,6-14,16-17H2,1-5H3/b20-15-/t19-,21?,22?,24-,25-,26-,27+,28-/m1/s1
InChIKey BKJVTAHTAAPFMZ-VWESTXHISA-N
Mol Weight 398.7 g/mol
Molecular Formula C28H46O
Exact Mass 398.354866 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ApK5mlozsol
Name 5,10-seco-3'H-cyclopropa[2,3]cholestan-1(10)-en-5-one
Alternate Name(s) (3aS,5aR,6R,8aS,8bR)-6-[(1R)-1,5-dimethylhexyl]-3,5a-dimethyl-1a,3a,4,5,5a,6,7,8,8a,8b,9,10,12,12a-tetradecahydrocyclopropa[5,6]cyclodeca[1,2-e]inden-11(1H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H46O
InChI InChI=1S/C28H46O/c1-18(2)7-6-8-19(3)26-11-12-27-25-10-9-23(29)17-22-16-21(22)15-20(4)24(25)13-14-28(26,27)5/h15,18-19,21-22,24-27H,6-14,16-17H2,1-5H3/b20-15-/t19-,21?,22?,24-,25-,26-,27+,28-/m1/s1
InChIKey BKJVTAHTAAPFMZ-VWESTXHISA-N
Molecular Weight 398.675 g/mol
SMILES [C@@]12([C@]([C@@]3(CCC(CC4C(\C=C/([C@]3(CC2)[H])C)C4)=O)[H])(CC[C@@]1([C@@](CCCC(C)C)(C)[H])[H])[H])C
SPLASH splash10-000t-0009000000-da435acfeb40da6fb6f6
Source of Spectrum J-62-2979-8
Wiley ID 1368812