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B-Homo-A-norcholestan-3-one, (5.alpha.)-
SpectraBase Compound ID 9FKe1AyE5S7
InChI InChI=1S/C27H46O/c1-18(2)8-6-9-19(3)23-12-13-24-22-11-7-10-20-16-21(28)17-27(20,5)25(22)14-15-26(23,24)4/h18-20,22-25H,6-17H2,1-5H3/t19-,20+,22+,23?,24?,25?,26-,27+/m1/s1
InChIKey GFXAJBVIHPQERV-CJABMGLGSA-N
Mol Weight 386.7 g/mol
Molecular Formula C27H46O
Exact Mass 386.354866 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ox1NG4fuC
Name B-Homo-A-norcholestan-3-one, (5.alpha.)-
CAS Registry Number 6987-49-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H46O
InChI InChI=1S/C27H46O/c1-18(2)8-6-9-19(3)23-12-13-24-22-11-7-10-20-16-21(28)17-27(20,5)25(22)14-15-26(23,24)4/h18-20,22-25H,6-17H2,1-5H3/t19-,20+,22+,23?,24?,25?,26-,27+/m1/s1
InChIKey GFXAJBVIHPQERV-CJABMGLGSA-N
Molecular Weight 386.664 g/mol
SMILES [C@@]12(C([C@@]3(CCC[C@@]4([C@@](C3CC2)(CC(=O)C4)C)[H])[H])CCC1[C@@](CCCC(C)C)(C)[H])C
SPLASH splash10-001r-0095000000-6e75e73a4b3b85689603
Source of Spectrum KC-1982-938-0
Synonyms (3aS,5aR,8bR,11aS)-6-[(1R)-1,5-dimethylhexyl]-3a,5a-dimethylhexadecahydro-2H-indeno[5,4-e]azulen-2-one 1H-indeno[5,4-e]azulene, b-homo-a-norcholestan-3-one deriv. A-nor-b-homo-5.alpha.-cholestan-3-one
Wiley ID 1363192