| SpectraBase Spectrum ID |
9JiSo4uEPHi |
| Name |
CHOLESTAN-3-ONE, (5.ALPHA.)- |
| Copyright |
Copyright © 2011-2025 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-ZTPZMMAUSA-N |
| Molecular Weight |
386.664 g/mol |
| Nominal Mass |
386 u |
| Number of Peaks |
283 |
| SMILES |
C1(CC[C@@]2([C@]3(CC[C@@]4([C@](CC[C@]4([C@@]3(CCC2C1)[H])[H])([C@@](CCCC(C)C)(C)[H])[H])C)[H])C)=O |
| SPLASH |
splash10-001i-9751000000-05b29af35b9c16fab009 |
| Source File Reference |
LMCM-84243-289G |
| Synonyms |
5.ALPHA.-CHOLESTAN-3-ONE
CHOLESTAN-3-ONE
3-OXOCHOLESTANE
17-(1,5-DIMETHYL-HEXYL)-10,13-DIMETHYL-HEXADECAHYDRO-CYCLOPENTA[A]PHENANTHREN-3-ONE
(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_8822 |
