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2.alpha.,3.alpha,-Epoxycholestan-5.alpha.-ol
SpectraBase Compound ID IZDMp90kF38
InChI InChI=1S/C27H46O2/c1-17(2)7-6-8-18(3)20-9-10-21-19-11-14-27(28)16-24-23(29-24)15-26(27,5)22(19)12-13-25(20,21)4/h17-24,28H,6-16H2,1-5H3/t18-,19+,20-,21+,22+,23-,24+,25-,26-,27-/m1/s1
InChIKey JGCBUDSKGHJASF-FUARUQEFSA-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 8DHuZtYrHav
Name 2.alpha.,3.alpha,-Epoxycholestan-5.alpha.-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H46O2
InChI InChI=1S/C27H46O2/c1-17(2)7-6-8-18(3)20-9-10-21-19-11-14-27(28)16-24-23(29-24)15-26(27,5)22(19)12-13-25(20,21)4/h17-24,28H,6-16H2,1-5H3/t18-,19+,20-,21+,22+,23-,24+,25-,26-,27-/m1/s1
InChIKey JGCBUDSKGHJASF-FUARUQEFSA-N
Molecular Weight 402.663 g/mol
SMILES O[C@@]12[C@@]([C@@]3([C@]([C@@]4(CC[C@@]([C@]4(CC3)C)([C@@](CCCC(C)C)(C)[H])[H])[H])(CC2)[H])[H])(C[C@]2(O[C@]2(C1)[H])[H])C
SPLASH splash10-001i-0009000000-b6eba51de7e611c274e1
Source of Spectrum J-59-4398-11
Synonyms (1R,3aS,3bS,5aR,6aS,7aR,8aR,8bS,10aR)-1-[(1R)-1,5-dimethylhexyl]-8a,10a-dimethylhexadecahydro-5aH-cyclopenta[7,8]phenanthro[2,3-b]oxiren-5a-ol
Wiley ID 1370705