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(1S,3R,5Z,7E)-24-Oxa-9,10-secocholesta-5,7,10(19)-triene-1,3-diol
SpectraBase Compound ID BnEGJP1EZX5
InChI InChI=1S/C26H42O3/c1-17(2)29-14-12-18(3)23-10-11-24-20(7-6-13-26(23,24)5)8-9-21-15-22(27)16-25(28)19(21)4/h8-9,17-18,22-25,27-28H,4,6-7,10-16H2,1-3,5H3/b20-8+,21-9-/t18-,22-,23-,24+,25+,26-/m1/s1
InChIKey RGFWWTOYCBXFBQ-VPNMKRJMSA-N
Mol Weight 402.6 g/mol
Molecular Formula C26H42O3
Exact Mass 402.313395 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LlabKb9YctA
Name (1S,3R,5Z,7E)-24-Oxa-9,10-secocholesta-5,7,10(19)-triene-1,3-diol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H42O3
InChI InChI=1S/C26H42O3/c1-17(2)29-14-12-18(3)23-10-11-24-20(7-6-13-26(23,24)5)8-9-21-15-22(27)16-25(28)19(21)4/h8-9,17-18,22-25,27-28H,4,6-7,10-16H2,1-3,5H3/b20-8+,21-9-/t18-,22-,23-,24+,25+,26-/m1/s1
InChIKey RGFWWTOYCBXFBQ-VPNMKRJMSA-N
Molecular Weight 402.619 g/mol
SMILES O[C@]1(C[C@@](C\C(C1=C)=C/C=C/1[C@]2([C@@]([C@](CC2)([C@@](CCOC(C)C)(C)[H])[H])(CCC1)C)[H])(O)[H])[H]
SPLASH splash10-001i-0900000000-54277d9267c07f845a80
Source of Spectrum F-49-746-8
Synonyms (1R,3S,5Z)-5-{2-[(1R,3aS,4E,7aR)-7a-methyl-1-[(2R)-4-(propan-2-yloxy)butan-2-yl]-octahydro-1H-inden-4-ylidene]ethylidene}-4-methylidenecyclohexane-1,3-diol
Wiley ID 1370629