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3.alpha.,7.alpha.,12.alpha.-trihydroxycoprostane
SpectraBase Compound ID 8MgpCiEj821
InChI InChI=1S/C27H48O3/c1-16(2)7-6-8-17(3)20-9-10-21-25-22(15-24(30)27(20,21)5)26(4)12-11-19(28)13-18(26)14-23(25)29/h16-25,28-30H,6-15H2,1-5H3/t17-,18?,19-,20-,21+,22+,23-,24+,25+,26+,27-/m1/s1
InChIKey RIVQQZVHIVNQFH-LUDCKKLCSA-N
Mol Weight 420.7 g/mol
Molecular Formula C27H48O3
Exact Mass 420.360345 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4NqOF7CxOb0
Name 3.alpha.,7.alpha.,12.alpha.-trihydroxycoprostane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H48O3
InChI InChI=1S/C27H48O3/c1-16(2)7-6-8-17(3)20-9-10-21-25-22(15-24(30)27(20,21)5)26(4)12-11-19(28)13-18(26)14-23(25)29/h16-25,28-30H,6-15H2,1-5H3/t17-,18?,19-,20-,21+,22+,23-,24+,25+,26+,27-/m1/s1
InChIKey RIVQQZVHIVNQFH-LUDCKKLCSA-N
Molecular Weight 420.678 g/mol
SMILES O[C@@]1([C@]2([C@]([C@@]3([C@@](CC4[C@@]([C@]3(C1)[H])(CC[C@](C4)(O)[H])C)(O)[H])[H])(CC[C@@]2([C@@](CCCC(C)C)(C)[H])[H])[H])C)[H]
SPLASH splash10-0536-9421000000-9075f39e05db452d38cc
Source of Spectrum AY-1-386-31
Synonyms (3alpha,7alpha,12alpha)-cholestane-3,7,12-triol (3R,7R,8R,9S,10S,12S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,7,12-triol
Wiley ID 58817