| SpectraBase Spectrum ID |
4ZNHtqCCno |
| Name |
(all E,2'R)-1',2'-Dihydroxy-3',4'-didehydro-1',2'-dihydro-.beta.,.psi.-caroten-4-one |
| Alternate Name(s) |
(2'R,3'E)-1',2'-dihydroxy-3',4'-didehydro-1',2'-dihydro-beta,psi-caroten-4-one |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C40H54O3 |
| InChI |
InChI=1S/C40H54O3/c1-30(18-13-20-32(3)21-15-23-34(5)25-27-38(42)40(9,10)43)16-11-12-17-31(2)19-14-22-33(4)24-26-36-35(6)37(41)28-29-39(36,7)8/h11-27,38,42-43H,28-29H2,1-10H3/b12-11+,18-13+,19-14+,21-15+,26-24+,27-25+,30-16+,31-17+,32-20+,33-22+,34-23+/t38-/m1/s1 |
| InChIKey |
FPIZYJYTADQUJO-VOAVCZNRSA-N |
| Molecular Weight |
582.869 g/mol |
| SMILES |
OC([C@@](\C=C\C(=C\C=C\C(=C\C=C\C(=C\C=C\C=C\(\C=C\C=C\(\C=C\C1=C(C(=O)CCC1(C)C)C)C)C)C)C)C)(O)[H])(C)C |
| SPLASH |
splash10-0pwc-5940110000-e3fdff145b8ae926a707 |
| Source of Spectrum |
H-80-836-2 |
| Wiley ID |
1408720 |
