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9.alpha.-Hydroxy-3-ethylenedioxycholestane

View entire compound with spectra: 1 MS (GC)

9.alpha.-Hydroxy-3-ethylenedioxycholestane
SpectraBase Compound ID 1Y6EUIK45X7
InChI InChI=1S/C29H50O3/c1-20(2)7-6-8-21(3)23-11-12-24-25-10-9-22-19-28(31-17-18-32-28)15-14-27(22,5)29(25,30)16-13-26(23,24)4/h20-25,30H,6-19H2,1-5H3/t21-,22+,23-,24+,25+,26-,27+,29-/m1/s1
InChIKey SGCUHRJMRLOQPZ-FSIAVPEKSA-N
Mol Weight 446.7 g/mol
Molecular Formula C29H50O3
Exact Mass 446.375995 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7G86jUJzNRz
Name 9.alpha.-Hydroxy-3-ethylenedioxycholestane
Appearance White needles
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 446.375995467 u
Formula C29H50O3
InChI InChI=1S/C29H50O3/c1-20(2)7-6-8-21(3)23-11-12-24-25-10-9-22-19-28(31-17-18-32-28)15-14-27(22,5)29(25,30)16-13-26(23,24)4/h20-25,30H,6-19H2,1-5H3/t21-,22+,23-,24+,25+,26-,27+,29-/m1/s1
InChIKey SGCUHRJMRLOQPZ-FSIAVPEKSA-N
Instrument Name VG analytical 70-250S
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0003.710
Molecular Weight 446.716 g/mol
Quality 53
Reported Formula C29H50O3
SMILES O[C@@]12[C@@](CC[C@@]3([C@@]2(CCC2(C3)OCCO2)C)[H])([C@]2([C@](CC1)([C@](CC2)([C@](C)(CCCC(C)C)[H])[H])C)[H])[H]
SPLASH splash10-002b-9700100000-cdc12cea678ccdbcfde0
Source of Spectrum ARK-2002-87-4 (DOI: 10.3998/ark.5550190.0003.710)
Wiley ID 1904764