| SpectraBase Spectrum ID |
CLJJK6SiL8d |
| Name |
5,10-secocholesta-1(10),2-dien-5-one |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C27H44O |
| InChI |
InChI=1S/C27H44O/c1-19(2)9-8-11-21(4)25-15-16-26-24-14-13-22(28)12-7-6-10-20(3)23(24)17-18-27(25,26)5/h6-7,10,19,21,23-26H,8-9,11-18H2,1-5H3/b7-6-,20-10-/t21-,23-,24-,25-,26+,27-/m1/s1 |
| InChIKey |
AEFSZRWYGQPSCF-KSANODGYSA-N |
| Molecular Weight |
384.648 g/mol |
| SMILES |
[C@@]12([C@]([C@@]3(CCC(=O)C\C=C/C=C\([C@]3(CC2)[H])C)[H])(CC[C@@]1([C@@](CCCC(C)C)(C)[H])[H])[H])C |
| SPLASH |
splash10-001i-0009000000-58e2f31d8540571bf2e2 |
| Source of Spectrum |
J-59-4399-20 |
| Synonyms |
(3R,3aR,5aS,13aR,13bS)-3-[(1R)-1,5-dimethylhexyl]-3a,6-dimethyl-1,2,3,3a,4,5,5a,10,12,13,13a,13b-dodecahydro-11H-cyclodeca[e]inden-11-one |
| Wiley ID |
1361991 |
