| SpectraBase Spectrum ID |
7b8TB00jutt |
| Name |
Isocarotene |
| Alternate Name(s) |
4',5'-Didehydro-4,5'-retro-.beta.,.beta.-Carotene
(6E,6'E)-6,6'-((2E,4E,6E,8E,10E,12E,14E,16E)-3,7,12,16-tetramethyloctadeca-2,4,6,8,10,12,14,16-octaene-1,18-diylidene)bis(1,5,5-trimethylcyclohex-1-ene) |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C40H54 |
| InChI |
InChI=1S/C40H54/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38-36(6)24-16-30-40(38,9)10/h11-14,17-28H,15-16,29-30H2,1-10H3/b17-11+,18-12+,21-13+,22-14+,31-19+,32-20+,33-25+,34-26+,37-27-,38-28- |
| InChIKey |
RRMHVWZOQSOJEK-WFVYOHTHSA-N |
| Molecular Weight |
534.872 g/mol |
| SMILES |
CC1(C)\C(=C/C=C\(C)\C=C\C=C/(C)\C=C\C=C\C(=C\C=C\C(=C\C=C/2C(C)(C)CCC=C2C)C)C)C(=CCC1)C |
| SPLASH |
splash10-014i-9520060000-a9125d65bf182d868e2f |
| Source of Spectrum |
F5-2-2827-2b |
| Wiley ID |
1732077 |
