| SpectraBase Spectrum ID |
JY1Jknfo5No |
| Name |
2-OXOCHOLESTANE-3-CARBALDEHYDE |
| Copyright |
Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
414.349780719 u |
| Formula |
C28H46O2 |
| InChI |
InChI=1S/C28H46O2/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-21-15-20(17-29)26(30)16-28(21,5)25(22)13-14-27(23,24)4/h17-25H,6-16H2,1-5H3/t19-,20?,21?,22+,23-,24+,25+,27-,28+/m1/s1 |
| InChIKey |
DIRNRMMQWCOVQI-ATPLGATNSA-N |
| Molecular Weight |
414.674 g/mol |
| Nominal Mass |
414 u |
| Number of Peaks |
337 |
| SMILES |
C1(C(C[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)C=O |
| SPLASH |
splash10-0bt9-9851200000-49d2a7b90fb4acb0859f |
| Source File Reference |
LMCM-85736-065Q |
| Synonyms |
17-(1,5-DIMETHYL-HEXYL)-3-HYDROXYMETHYLENE-10,13-DIMETHYL-HEXADECAHYDRO-CYCLOPENTA[A]PHENANTHREN-2-ONE
(1S,2S,10R,11S,14R,15R)-2,15-dimethyl-14-[(2R)-6-methylheptan-2-yl]-4-oxotetracyclo[8.7.0.0(2,7).0(11,15)]heptadecane-5-carbaldehyde |
| Wiley ID |
8_8462 |
