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5.alpha.,8.alpha.-epi-Dioxycholest-6-en-3.beta.-ol
SpectraBase Compound ID GZFuMG4mVME
InChI InChI=1S/C27H44O3/c1-18(2)7-6-8-19(3)21-9-10-22-24(21,4)13-12-23-25(5)14-11-20(28)17-26(25)15-16-27(22,23)30-29-26/h15-16,18-23,28H,6-14,17H2,1-5H3/t19?,20-,21?,22?,23?,24+,25+,26+,27-/m0/s1
InChIKey FOISYVRNZSWLHL-OFTSJCSMSA-N
Mol Weight 416.6 g/mol
Molecular Formula C27H44O3
Exact Mass 416.329045 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1sfRQCbO2at
Name 5.alpha.,8.alpha.-epi-Dioxycholest-6-en-3.beta.-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H44O3
InChI InChI=1S/C27H44O3/c1-18(2)7-6-8-19(3)21-9-10-22-24(21,4)13-12-23-25(5)14-11-20(28)17-26(25)15-16-27(22,23)30-29-26/h15-16,18-23,28H,6-14,17H2,1-5H3/t19?,20-,21?,22?,23?,24+,25+,26+,27-/m0/s1
InChIKey FOISYVRNZSWLHL-OFTSJCSMSA-N
Molecular Weight 416.646 g/mol
SMILES O[C@@]1(C[C@]23C=C[C@@]4(C5[C@](C(C(CCCC(C)C)C)CC5)(C)CCC4[C@]2(CC1)C)OO3)[H]
SPLASH splash10-00ls-0009200000-364a30b2d390a6157179
Source of Spectrum I-78-991-2
Synonyms (1S,6R,10R,13S,15S)-5-(1,5-dimethylhexyl)-6,10-dimethyl-16,17-dioxapentacyclo[13.2.2.0(1,9).0(2,6).0(10,15)]nonadec-18-en-13-ol
Wiley ID 812871