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2-Hydroxycholestan-3-one
SpectraBase Compound ID 2zX0c8MkQhO
InChI InChI=1S/C27H46O2/c1-17(2)7-6-8-18(3)21-11-12-22-20-10-9-19-15-24(28)25(29)16-27(19,5)23(20)13-14-26(21,22)4/h17-23,25,29H,6-16H2,1-5H3/t18-,19?,20+,21-,22+,23+,25?,26-,27+/m1/s1
InChIKey TYVUTFWURHMKHD-OYBDRETQSA-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 IbfIuoUoUHy
Name 2-HYDROXYCHOLESTAN-3-ONE
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Exact Mass 402.349780719 u
Formula C27H46O2
InChI InChI=1S/C27H46O2/c1-17(2)7-6-8-18(3)21-11-12-22-20-10-9-19-15-24(28)25(29)16-27(19,5)23(20)13-14-26(21,22)4/h17-23,25,29H,6-16H2,1-5H3/t18-,19?,20+,21-,22+,23+,25?,26-,27+/m1/s1
InChIKey TYVUTFWURHMKHD-OYBDRETQSA-N
Molecular Weight 402.663 g/mol
Nominal Mass 402 u
Number of Peaks 327
SMILES OC1C(CC2CC[C@]3([C@@]4(CC[C@]([C@@](CCCC(C)C)(C)[H])([C@@]4(C)CC[C@@]3([C@]2(C1)C)[H])[H])[H])[H])=O
SPLASH splash10-052g-9530100000-2e77cfd7f7c047700bfd
Source File Reference LMCM-88751-503C
Synonyms (1S,2S,10R,11S,14R,15R)-4-hydroxy-2,15-dimethyl-14-[(2R)-6-methylheptan-2-yl]tetracyclo[8.7.0.0(2,7).0(11,15)]heptadecan-5-one 17-(1,5-DIMETHYL-HEXYL)-2-HYDROXY-10,13-DIMETHYL-HEXADECAHYDRO-CYCLOPENTA[A]PHENANTHREN-3-ONE
Wiley ID 8_8398