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7,12-DIHYDROXY-METHYL-5-BETA-CHOL-3-ENOATE
SpectraBase Compound ID DIsOJHl5Ctq
InChI InChI=1S/C25H40O4/c1-15(8-11-22(28)29-4)17-9-10-18-23-19(14-21(27)25(17,18)3)24(2)12-6-5-7-16(24)13-20(23)26/h5,7,15-21,23,26-27H,6,8-14H2,1-4H3/t15-,16+,17-,18+,19+,20-,21+,23+,24+,25-/m1/s1
InChIKey UYNYCDBHORSDKX-KGFCUSQPSA-N
Mol Weight 404.6 g/mol
Molecular Formula C25H40O4
Exact Mass 404.29266 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 81I6uB5OBJz
Name 7alpha,12alpha-Dihydroxy-5beta-chol-3-enoic acid-methylester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H40O4
InChI InChI=1S/C25H40O4/c1-15(8-11-22(28)29-4)17-9-10-18-23-19(14-21(27)25(17,18)3)24(2)12-6-5-7-16(24)13-20(23)26/h5,7,15-21,23,26-27H,6,8-14H2,1-4H3/t15-,16+,17-,18+,19+,20-,21+,23+,24+,25-/m1/s1
InChIKey UYNYCDBHORSDKX-KGFCUSQPSA-N
Molecular Weight 404.591 g/mol
SMILES O[C@]1(C[C@]2([C@@]([C@@](C[C@@]3(C=CCC[C@]23C)[H])(O)[H])([C@]2([C@@]1(C)[C@](CC2)([C@](C)(CCC(OC)=O)[H])[H])[H])[H])[H])[H]
SPLASH splash10-0udi-0094000000-f9dca699efc50b3a6ea7
Source of Spectrum APC-314-125-12
Synonyms Methyl (R)-4-((5R,7R,8R,9S,10S,12S,13R,14S,17R)-7,12-dihydroxy-10,13-dimethyl-2,5,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate
Wiley ID 1787901