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A-Homo-4-oxacholestane, 3,5-epoxy-, (3.alpha.,5.alpha.)-
SpectraBase Compound ID 2FUixkSDgXL
InChI InChI=1S/C27H46O2/c1-18(2)7-6-8-19(3)21-9-10-22-20-11-16-27-17-28-24(29-27)13-15-26(27,5)23(20)12-14-25(21,22)4/h18-24H,6-17H2,1-5H3/t19-,20+,21-,22+,23+,24-,25-,26-,27-/m1/s1
InChIKey SNHDCROMPQNSGG-NBGJRJMZSA-N
Mol Weight 402.7 g/mol
Molecular Formula C27H46O2
Exact Mass 402.349781 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IZM9vFAs4UO
Name A-Homo-4-oxacholestane, 3,5-epoxy-, (3.alpha.,5.alpha.)-
CAS Registry Number 58028-16-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H46O2
InChI InChI=1S/C27H46O2/c1-18(2)7-6-8-19(3)21-9-10-22-20-11-16-27-17-28-24(29-27)13-15-26(27,5)23(20)12-14-25(21,22)4/h18-24H,6-17H2,1-5H3/t19-,20+,21-,22+,23+,24-,25-,26-,27-/m1/s1
InChIKey SNHDCROMPQNSGG-NBGJRJMZSA-N
Molecular Weight 402.663 g/mol
SMILES [C@@]12([C@]([C@@]3(CC[C@]45[C@@]([C@]3(CC2)[H])(CC[C@@](O5)(OC4)[H])C)[H])(CC[C@@]1([C@@](CCCC(C)C)(C)[H])[H])[H])C
SPLASH splash10-0k92-9123500000-432f01a1fe3718cce3eb
Source of Spectrum KC-1981-246-0
Synonyms (1S,4S,5S,8R,9R,12S,13R,16R)-8-[(1R)-1,5-dimethylhexyl]-9,13-dimethyl-17,19-dioxapentacyclo[14.2.1.0(1,13).0(4,12).0(5,9)]nonadecane 3.alpha.,5-epoxy-a-homo-4-oxa-5.alpha.-cholestane 3H-3,12a-epoxy-1H-cyclopenta[5,6]naphth[2,1-c]oxepin, a-homo-4-oxacholestane deriv.
Wiley ID 1370684