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2,3-DIHYDROXYCHOLEST-4-EN-6-ONE
SpectraBase Compound ID 5HxApwMWcCC
InChI InChI=1S/C27H44O3/c1-16(2)7-6-8-17(3)19-9-10-20-18-13-23(28)22-14-24(29)25(30)15-27(22,5)21(18)11-12-26(19,20)4/h14,16-21,24-25,29-30H,6-13,15H2,1-5H3/t17-,18+,19-,20+,21+,24?,25?,26-,27-/m1/s1
InChIKey DHDBOVIXVFKNCT-ZVFBGJCOSA-N
Mol Weight 416.6 g/mol
Molecular Formula C27H44O3
Exact Mass 416.329045 g/mol
Enantiomer InChIKey DHDBOVIXVFKNCT-YNQNSDATSA-N
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  • (1S,2R,10S,11S,14R,15R)-4,5-dihydroxy-2,15-dimethyl-14-[(2R)-6-methylheptan-2-yl]tetracyclo[8.7.0.0(2,7).0(11,15)]heptadec-6-en-8-one
  • 17-(1,5-DIMETHYL-HEXYL)-2,3-DIHYDROXY-10,13-DIMETHYL-1,2,3,7,8,9,10,11,12,13,14,15,16,17-TETRADECAHYDRO-CYCLOPENTA[A]PHENANTHREN-6-O

This compound is available in the following databases:

Mass Spectra of Physiologically Active Substances - including drugs, steroid hormones,and endocrine disruptors 2011

Author: Parr, Maria Kristina; Opfermann, Georg; Schänzer, Wilhelm; Makin, Hugh L. J.

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