| SpectraBase Spectrum ID |
6KCYZ7Bbzgf |
| Name |
5.ALPHA.-CHOLESTAN-3,6-DIONE |
| 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)21-9-10-22-20-16-25(29)24-15-19(28)11-13-27(24,5)23(20)12-14-26(21,22)4/h17-18,20-24H,6-16H2,1-5H3/t18-,20+,21-,22+,23+,24-,26-,27-/m1/s1 |
| InChIKey |
LNGLEOIUQBVRRY-PWNVBJGISA-N |
| Molecular Weight |
400.647 g/mol |
| Nominal Mass |
400 u |
| Number of Peaks |
113 |
| SMILES |
C1(CC[C@@]2([C@]3(CC[C@@]4([C@](CC[C@]4([C@@]3(CC([C@]2(C1)[H])=O)[H])[H])([C@@](CCCC(C)C)(C)[H])[H])C)[H])C)=O |
| SPLASH |
splash10-0udi-9330400000-05ef18634931081734be |
| Source File Reference |
LMCM-14018-015N |
| Source of Spectrum |
Prof. Spiteller, University Bayreuth, Germany |
| Synonyms |
CHOLESTANE-3,6-DIONE
(5S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-((R)-6-methylheptan-2-yl)dodecahydro-1H-cyclopenta[a]phenanthrene-3,6(2H,10H)-dione |
| Wiley ID |
4_548 |
