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CHOLEST-4-EN-3-ALPHA,6-ALPHA-DIOL
SpectraBase Compound ID 9SGVRaSE5iK
InChI InChI=1S/C27H46O2/c1-17(2)7-6-8-18(3)21-9-10-22-20-16-25(29)24-15-19(28)11-13-27(24,5)23(20)12-14-26(21,22)4/h15,17-23,25,28-29H,6-14,16H2,1-5H3/t18-,19-,20+,21-,22+,23+,25+,26-,27-/m1/s1
InChIKey LZHRRGGNNXYJOT-KEDFQAJKSA-N
Mol Weight 402.7 g/mol
Molecular Formula C27H46O2
Exact Mass 402.349781 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2uiXi3In1Fv
Name (3R,6S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,6-diol
Alternate Name(s) (3R,6S,8S,9S,10R,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,6-diol
CAS Registry Number 65082-85-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H46O2
InChI InChI=1S/C27H46O2/c1-17(2)7-6-8-18(3)21-9-10-22-20-16-25(29)24-15-19(28)11-13-27(24,5)23(20)12-14-26(21,22)4/h15,17-23,25,28-29H,6-14,16H2,1-5H3/t18-,19-,20+,21-,22+,23+,25+,26-,27-/m1/s1
InChIKey LZHRRGGNNXYJOT-KEDFQAJKSA-N
Molecular Weight 402.663 g/mol
SMILES O[C@@]1(C=2[C@](CC[C@](C2)(O)[H])([C@@]2([C@@](C1)([C@@]1(CC[C@@]([C@]1(CC2)C)([C@@](CCCC(C)C)(C)[H])[H])[H])[H])[H])C)[H]
SPLASH splash10-00lr-1009000000-6ad3f8ce4e27d11c5068
Source of Spectrum H-65-2707-0
Wiley ID 1370676