| SpectraBase Spectrum ID |
2qnoeIN9v8V |
| Name |
5.beta.-cholesta-1,7-dien-3,6-dione |
| Alternate Name(s) |
(5beta)-cholesta-1,7-diene-3,6-dione |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C27H40O2 |
| InChI |
InChI=1S/C27H40O2/c1-17(2)7-6-8-18(3)21-9-10-22-20-16-25(29)24-15-19(28)11-13-27(24,5)23(20)12-14-26(21,22)4/h11,13,16-18,21-24H,6-10,12,14-15H2,1-5H3/t18-,21-,22+,23+,24+,26-,27-/m1/s1 |
| InChIKey |
IITNONGAYNNQPN-ZLNDANPTSA-N |
| Molecular Weight |
396.615 g/mol |
| SMILES |
C1=2[C@@]([C@]3(C=CC(C[C@]3(C(C2)=O)[H])=O)C)(CC[C@]2([C@]1(CC[C@@]2([C@@](CCCC(C)C)(C)[H])[H])[H])C)[H] |
| SPLASH |
splash10-001j-0629000000-4f87589c4859477c2cc8 |
| Source of Spectrum |
F-47-7078-15 |
| Wiley ID |
1367761 |
