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(25R)-17.beta.-Methyl-18-nor-17.alpha.-cholesta-5,13-diene-3.beta.,26-diol
SpectraBase Compound ID ojPfAY0qpR
InChI InChI=1S/C27H44O2/c1-18(17-28)6-5-7-19(2)26(3)15-13-23-22-9-8-20-16-21(29)12-14-27(20,4)25(22)11-10-24(23)26/h8,18-19,21-22,25,28-29H,5-7,9-17H2,1-4H3/t18-,19-,21+,22+,25+,26+,27+/m1/s1
InChIKey HWBWZCXKQNLXKG-MQXYGGLKSA-N
Mol Weight 400.6 g/mol
Molecular Formula C27H44O2
Exact Mass 400.334131 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Amy3v2vffoi
Name (25R)-17.beta.-Methyl-18-nor-17.alpha.-cholesta-5,13-diene-3.beta.,26-diol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H44O2
InChI InChI=1S/C27H44O2/c1-18(17-28)6-5-7-19(2)26(3)15-13-23-22-9-8-20-16-21(29)12-14-27(20,4)25(22)11-10-24(23)26/h8,18-19,21-22,25,28-29H,5-7,9-17H2,1-4H3/t18-,19-,21+,22+,25+,26+,27+/m1/s1
InChIKey HWBWZCXKQNLXKG-MQXYGGLKSA-N
Molecular Weight 400.647 g/mol
SMILES O[C@]1(CC[C@]2(C(=CC[C@]3(C4=C([C@]([C@@](CCC[C@](CO)(C)[H])(C)[H])(CC4)C)CC[C@]23[H])[H])C1)C)[H]
SPLASH splash10-00di-0090000000-8a312618597fa3afa494
Source of Spectrum AT-34-3690-5
Synonyms (2R,6R)-6-[(3beta,17alpha)-3-hydroxy-10,17-dimethylgona-5,13-dien-17-yl]-2-methyl-1-heptanol
Wiley ID 852531