| SpectraBase Spectrum ID |
C1lFNZSU6C6 |
| Name |
3.BETA.-HYDROXY-CHOLEST-5-ENE-7-ONE |
| Copyright |
Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
400.334130655 u |
| Formula |
C27H44O2 |
| InChI |
InChI=1S/C27H44O2/c1-17(2)7-6-8-18(3)21-9-10-22-25-23(12-14-27(21,22)5)26(4)13-11-20(28)15-19(26)16-24(25)29/h16-18,20-23,25,28H,6-15H2,1-5H3/t18-,20+,21-,22+,23+,25+,26+,27-/m1/s1 |
| InChIKey |
YIKKMWSQVKJCOP-ABXCMAEBSA-N |
| Molecular Weight |
400.647 g/mol |
| Nominal Mass |
400 u |
| Number of Peaks |
52 |
| SMILES |
O[C@]1(CC[C@@]2([C@]3(CC[C@@]4([C@](CC[C@]4([C@@]3(C(C=C2C1)=O)[H])[H])([C@@](CCCC(C)C)(C)[H])[H])C)[H])C)[H] |
| SPLASH |
splash10-0udi-4311900000-f0dca23112274a8faf65 |
| Source File Reference |
LMCM-70362-735G |
| Source of Spectrum |
Prof. Spiteller, University Bayreuth, Germany |
| Synonyms |
3-HYDROXYCHOLEST-5-EN-7-ONE
(3S,8S,9S,10R,13R,14S,17R)-3-hydroxy-10,13-dimethyl-17-((R)-6-methylheptan-2-yl)-3,4,8,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-7(2H)-one |
| Wiley ID |
4_406 |
