| SpectraBase Spectrum ID |
6TqOoDVjfSu |
| Name |
5.ALPHA.-HYDROXY-CHOLESTAN-3-ONE |
| Copyright |
Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
402.349780719 u |
| Formula |
C27H46O2 |
| InChI |
InChI=1S/C27H46O2/c1-18(2)7-6-8-19(3)22-9-10-23-21-12-16-27(29)17-20(28)11-15-26(27,5)24(21)13-14-25(22,23)4/h18-19,21-24,29H,6-17H2,1-5H3/t19-,21+,22-,23+,24+,25-,26-,27-/m1/s1 |
| InChIKey |
OPSNLRNZVIABPI-LMAHGFGQSA-N |
| Molecular Weight |
402.663 g/mol |
| Nominal Mass |
402 u |
| Number of Peaks |
83 |
| SMILES |
O[C@]12CC(CC[C@@]1([C@]1(CC[C@@]3([C@](CC[C@]3([C@@]1(CC2)[H])[H])([C@@](CCCC(C)C)(C)[H])[H])C)[H])C)=O |
| SPLASH |
splash10-001i-9644100000-2dd76b14f8d747468470 |
| Source File Reference |
LMCM-52313-419X |
| Source of Spectrum |
Prof. Spiteller, University Bayreuth, Germany |
| Synonyms |
5-HYDROXYCHOLESTAN-3-ONE
(5R,8S,9S,10R,13R,14S,17R)-5-hydroxy-10,13-dimethyl-17-((R)-6-methylheptan-2-yl)tetradecahydro-1H-cyclopenta[a]phenanthren-3(2H)-one |
| Wiley ID |
4_157 |
