SpectraBase Spectrum ID |
IbfIuoUoUHy |
Name |
2-HYDROXYCHOLESTAN-3-ONE |
Copyright |
Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved. |
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 |