| SpectraBase Spectrum ID |
FOv4fVF9m5j |
| Name |
(9Z)-3,7-Dimethyl-9-(2',6',6'-trimethylcyclohex-1'-en-1'-yl)2,4,6,8-nonateraenoic Acid-Methyl Ester |
| Alternate Name(s) |
(9Z)-5,6,9,10-Diepoxy-retinoic Acid-Methyl Ester
(E)-3-{3-[(1E,3Z)-2-Methyl-4-(2,2,6-trimethyl-7-oxa-bicyclo[4.1.0]hept-1-yl)-buta-1,3-dienyl]-oxiranyl}-but-2-enoic acid methyl ester |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H30O4 |
| InChI |
InChI=1S/C21H30O4/c1-14(12-16-18(24-16)15(2)13-17(22)23-6)8-11-21-19(3,4)9-7-10-20(21,5)25-21/h8,11-13,16,18H,7,9-10H2,1-6H3/b11-8-,14-12+,15-13+ |
| InChIKey |
ZWZCIAHFQXUULF-VIZGCPLNSA-N |
| Molecular Weight |
346.467 g/mol |
| SMILES |
C12(OC2(CCCC1(C)C)C)\C=C/C(=C/C1OC1\C(=C\C(=O)OC)C)C |
| SPLASH |
splash10-0a4i-0090000000-f66064ab9ab768ae7936 |
| Source of Spectrum |
CRT-17-1718-8 |
| Wiley ID |
1710038 |
