| SpectraBase Spectrum ID |
67jRmpVRTTx |
| Name |
5.ALPHA.-CHOLESTAN-3-ONE |
| CAS Registry Number |
15600-08-5 |
| 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-UXIWKSIVSA-N |
| Molecular Weight |
386.664 g/mol |
| Nominal Mass |
386 u |
| Number of Peaks |
138 |
| 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 |
splash10-001r-8794000000-06106aecef49e103e505 |
| Source File Reference |
LMCM-59454-772Y |
| Source of Spectrum |
Prof. D. Henneberg, MPI f. Kohlenforschung, Muelheim a.d.R., Germany |
| Synonyms |
5.ALPHA.-CHOLESTAN-3-ONE
CHOLESTAN-3-ONE
3-OXOCHOLESTANE
(1S,2S,7S,10R,11S,14R,15R)-2,15-dimethyl-14-[(2R)-6-methylheptan-2-yl]tetracyclo[8.7.0.0(2,7).0(11,15)]heptadecan-5-one |
| Wiley ID |
8_26384 |
