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5.alpha.-Cholest-7-ene-3.beta.,5,.6.beta.,9-tetraol
SpectraBase Compound ID 9ZCRcmZt2wx
InChI InChI=1S/C27H46O4/c1-17(2)7-6-8-18(3)20-9-10-21-22-15-23(29)27(31)16-19(28)11-12-25(27,5)26(22,30)14-13-24(20,21)4/h15,17-21,23,28-31H,6-14,16H2,1-5H3/t18-,19+,20-,21+,23-,24-,25-,26?,27+/m1/s1
InChIKey GOMPWPOKPPQMCD-HEIOVUDASA-N
Mol Weight 434.7 g/mol
Molecular Formula C27H46O4
Exact Mass 434.33961 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Dsldz4C3XEt
Name 5.alpha.-Cholest-7-ene-3.beta.,5,.6.beta.,9-tetraol
Alternate Name(s) (3beta,5alpha,6beta)-cholest-7-ene-3,5,6,9-tetrol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H46O4
InChI InChI=1S/C27H46O4/c1-17(2)7-6-8-18(3)20-9-10-21-22-15-23(29)27(31)16-19(28)11-12-25(27,5)26(22,30)14-13-24(20,21)4/h15,17-21,23,28-31H,6-14,16H2,1-5H3/t18-,19+,20-,21+,23-,24-,25-,26?,27+/m1/s1
InChIKey GOMPWPOKPPQMCD-HEIOVUDASA-N
Molecular Weight 434.661 g/mol
SMILES O[C@]1(CC[C@]2([C@@]([C@@](C=C3C2(CC[C@@]2([C@](CC[C@@]32[H])([C@@](CCCC(C)C)(C)[H])[H])C)O)(O)[H])(C1)O)C)[H]
SPLASH splash10-015a-0049300000-2544b2eef97847e596e4
Source of Spectrum X2-53-1423-1
Wiley ID 1603784