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4,5-.alpha.-Epoxycholestane
SpectraBase Compound ID BqDvkkHRxVT
InChI InChI=1S/C27H46O/c1-18(2)8-6-9-19(3)21-11-12-22-20-13-17-27-24(28-27)10-7-15-26(27,5)23(20)14-16-25(21,22)4/h18-24H,6-17H2,1-5H3/t19-,20+,21-,22+,23+,24?,25-,26-,27-/m1/s1
InChIKey YSHCPAAHOVSKSB-LZEUIDCASA-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 3FlikdTMPif
Name 4,5-.alpha.-Epoxycholestane
Comments Less than 3 mono-isotopic peaks
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)21-11-12-22-20-13-17-27-24(28-27)10-7-15-26(27,5)23(20)14-16-25(21,22)4/h18-24H,6-17H2,1-5H3/t19-,20+,21-,22+,23+,24?,25-,26-,27-/m1/s1
InChIKey YSHCPAAHOVSKSB-LZEUIDCASA-N
Molecular Weight 386.664 g/mol
SMILES C1CC[C@]2([C@]3(C1O3)CC[C@]1([C@@]3(CC[C@]([C@@](CCCC(C)C)(C)[H])([C@@]3(C)CC[C@]21[H])[H])[H])[H])C
SPLASH splash10-000i-0009000000-3e5257d33d188f76982c
Source of Spectrum K1-2004-4786-2
Synonyms (4aR,4bS,6aR,7R,9aS,9bS,11aS)-7-[(1R)-1,5-dimethylhexyl]-4a,6a-dimethylhexadecahydrocyclopenta[7,8]phenanthro[1,10a-b]oxirene
Wiley ID 1562016