| SpectraBase Spectrum ID |
3FmU3j4YmCY |
| Name |
3-CHLOROCHOLEST-5-ENE |
| Copyright |
Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
404.320979149 u |
| Formula |
C27H45Cl |
| InChI |
InChI=1S/C27H45Cl/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/h9,18-19,21-25H,6-8,10-17H2,1-5H3/t19-,21?,22+,23-,24+,25+,26+,27-/m1/s1 |
| InChIKey |
OTVRYZXVVMZHHW-FNOPAARDSA-N |
| Molecular Weight |
405.110 g/mol |
| Nominal Mass |
404 u |
| Number of Peaks |
320 |
| SMILES |
C1(CC[C@@]2([C@]3(CC[C@@]4([C@](CC[C@]4([C@@]3(CC=C2C1)[H])[H])([C@@](CCCC(C)C)(C)[H])[H])C)[H])C)Cl |
| SPLASH |
splash10-0k97-7951200000-8d3b87820e7dc388d43f |
| Source File Reference |
LMCM-33438-838T |
| Synonyms |
3-CHLORO-17-(1,5-DIMETHYL-HEXYL)-10,13-DIMETHYL-2,3,4,7,8,9,10,11,12,13,14,15,16,17-TETRADECAHYDRO-1H-CYCLOPENTA[A]PHENANTHRENE
(1S,2R,10S,11S,14R,15R)-5-chloro-2,15-dimethyl-14-[(2R)-6-methylheptan-2-yl]tetracyclo[8.7.0.0(2,7).0(11,15)]heptadec-7-ene |
| Wiley ID |
8_8415 |
