| SpectraBase Spectrum ID |
CChGKuHL4Jt |
| Name |
.beta.,.kappa.-Carotene-4,6'-dione, 7,8-didehydro-3,3',8'-trihydroxy-, (3S,3'S,5'R)- |
| Alternate Name(s) |
(3S,3'S,5'R)-3,3',8'-trihydroxy-7,8-didehydro-beta,kappa-carotene-4,6'-dione
4-Oxomytiloxanthin |
| CAS Registry Number |
84537-00-8 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C40H52O5 |
| InChI |
InChI=1S/C40H52O5/c1-27(17-13-18-29(3)21-22-33-31(5)37(45)35(43)26-38(33,6)7)15-11-12-16-28(2)19-14-20-30(4)34(42)23-36(44)40(10)25-32(41)24-39(40,8)9/h11-20,23,32,35,41-43H,24-26H2,1-10H3/b12-11+,17-13+,19-14+,27-15+,28-16+,29-18+,30-20+,34-23-/t32-,35-,40-/m0/s1 |
| InChIKey |
PBOUPDPWSRTITJ-VQAVDSLQSA-N |
| Molecular Weight |
612.851 g/mol |
| SMILES |
O[C@@]1(C(C(=C(C#C\C(=C\C=C\C(=C\C=C\C=C\(\C=C\C=C\(\C(=C\C([C@]2(C(C[C@@](C2)(O)[H])(C)C)C)=O)O)C)C)C)C)C(C1)(C)C)C)=O)[H] |
| SPLASH |
splash10-052f-9200000000-3b8f65fa01f85a5b5afa |
| Source of Spectrum |
H-65-2228-0 |
| Wiley ID |
1411098 |
