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6-.beta.-Hydroxy-,beta.-sitosterone
SpectraBase Compound ID JP5tmfezdUs
InChI InChI=1S/C29H48O2/c1-7-20(18(2)3)9-8-19(4)23-10-11-24-22-17-27(31)26-16-21(30)12-14-29(26,6)25(22)13-15-28(23,24)5/h16,18-20,22-25,27,31H,7-15,17H2,1-6H3/t19-,20?,22?,23?,24?,25?,27-,28-,29-/m1/s1
InChIKey IWNCBADONFSAAW-HQCUGCCKSA-N
Mol Weight 428.7 g/mol
Molecular Formula C29H48O2
Exact Mass 428.365431 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6EoD7VGIkEJ
Name 6-.beta.-Hydroxy-,beta.-sitosterone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H48O2
InChI InChI=1S/C29H48O2/c1-7-20(18(2)3)9-8-19(4)23-10-11-24-22-17-27(31)26-16-21(30)12-14-29(26,6)25(22)13-15-28(23,24)5/h16,18-20,22-25,27,31H,7-15,17H2,1-6H3/t19-,20?,22?,23?,24?,25?,27-,28-,29-/m1/s1
InChIKey IWNCBADONFSAAW-HQCUGCCKSA-N
Molecular Weight 428.701 g/mol
SMILES O[C@]1(C=2[C@@](C3C(C4CCC([C@]4(CC3)C)[C@@](CCC(C(C)C)CC)(C)[H])C1)(CCC(=O)C2)C)[H]
SPLASH splash10-0fb9-0310900000-785391a62cafb38499f2
Source of Spectrum QA-44-319-34
Wiley ID 862448