| SpectraBase Spectrum ID |
3UyYkKBFzKc |
| Name |
5.BETA.-CHOLESTAN-3-ONE |
| Copyright |
Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
386.354866100 u |
| Formula |
C27H46O |
| InChI |
InChI=1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h18-20,22-25H,6-17H2,1-5H3/t19-,20-,22+,23-,24+,25+,26+,27-/m1/s1 |
| InChIKey |
PESKGJQREUXSRR-JDIFZLMISA-N |
| Molecular Weight |
386.664 g/mol |
| Nominal Mass |
386 u |
| Number of Peaks |
111 |
| SMILES |
C1(CC[C@@]2([C@]3(CC[C@@]4([C@](CC[C@]4([C@@]3(CC[C@@]2(C1)[H])[H])[H])([C@@](CCCC(C)C)(C)[H])[H])C)[H])C)=O |
| SPLASH |
splash10-0019-9636000000-4ab2a835a9850a2b9b0a |
| Source File Reference |
LMCM-30780-188V |
| Source of Spectrum |
Prof. Spiteller, University Bayreuth, Germany |
| Synonyms |
CHOLESTAN-3-ONE
(5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-((R)-6-methylheptan-2-yl)tetradecahydro-1H-cyclopenta[a]phenanthren-3(2H)-one |
| Wiley ID |
4_572 |
