| SpectraBase Spectrum ID |
Fm9dpmku85k |
| Name |
.beta.,.kappa.-Caroten-6'-one, 7,8-didehydro-3,8'-dihydroxy-, (3R,5'R,9-cis)- |
| Alternate Name(s) |
(3R,5'R)-3,8'-dihydroxy-7,8-didehydro-.beta.,.kappa.-caroten-6'-one (desoxy-mytiloxanthin
(3R,5'R)-3,8'-dihydroxy-7,8-didehydro-beta,kappa-caroten-6'-one |
| CAS Registry Number |
121703-14-8 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C40H54O3 |
| InChI |
InChI=1S/C40H54O3/c1-29(18-13-19-31(3)22-23-35-33(5)26-34(41)28-38(35,6)7)16-11-12-17-30(2)20-14-21-32(4)36(42)27-37(43)40(10)25-15-24-39(40,8)9/h11-14,16-21,27,34,41-42H,15,24-26,28H2,1-10H3/b12-11+,18-13+,20-14+,29-16+,30-17+,31-19+,32-21+,36-27-/t34-,40+/m1/s1 |
| InChIKey |
XXBVSXINTIBBNX-KIEZGUHRSA-N |
| Molecular Weight |
582.869 g/mol |
| SMILES |
O\C(\C(=C\C=C\C(=C\C=C\C=C\(\C=C\C=C\(C#CC=1C(C[C@@](CC1C)(O)[H])(C)C)C)C)C)C)=C/C([C@]1(C(CCC1)(C)C)C)=O |
| SPLASH |
splash10-06r6-7900010000-bd491121a54512c85f8c |
| Source of Spectrum |
KC-1988-1388-30 |
| Wiley ID |
1408718 |
