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2'-.psi.-Methoxy-spiro[5-.alpha.-cholestane-3,3'-tetrahydrofuran]-5'-one
SpectraBase Compound ID GAlqkNpAYYX
InChI InChI=1S/C31H52O3/c1-20(2)8-7-9-21(3)24-12-13-25-23-11-10-22-18-31(19-27(32)34-28(31)33-6)17-16-29(22,4)26(23)14-15-30(24,25)5/h20-26,28H,7-19H2,1-6H3/t21-,22+,23+,24-,25+,26+,28?,29+,30-,31?/m1/s1
InChIKey KAVGDCBTAAJVIW-SZGLDSHSSA-N
Mol Weight 472.8 g/mol
Molecular Formula C31H52O3
Exact Mass 472.391646 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5S8c8HHQODJ
Name 2'-.psi.-Methoxy-spiro[5-.alpha.-cholestane-3,3'-tetrahydrofuran]-5'-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H52O3
InChI InChI=1S/C31H52O3/c1-20(2)8-7-9-21(3)24-12-13-25-23-11-10-22-18-31(19-27(32)34-28(31)33-6)17-16-29(22,4)26(23)14-15-30(24,25)5/h20-26,28H,7-19H2,1-6H3/t21-,22+,23+,24-,25+,26+,28?,29+,30-,31?/m1/s1
InChIKey KAVGDCBTAAJVIW-SZGLDSHSSA-N
Molecular Weight 472.754 g/mol
SMILES [C@]12([C@]([C@]3([C@]([C@@]4([C@@](CC5(C(OC(C5)=O)OC)CC4)([H])CC3)C)([H])CC1)[H])(CC[C@@]2([C@@](CCCC(C)C)(C)[H])[H])[H])C
SPLASH splash10-001i-0049300000-96a4b201cac6352f9778
Source of Spectrum U-1995-344-10
Wiley ID 766463