| SpectraBase Spectrum ID |
1hEnrtOkZ0P |
| Name |
.beta.,.beta.-Carotene-3,6'-diol, 7,8-didehydro-5',6',7',8'-tetrahydro-3',8'-dioxo-, 3-acetate, (3'R,5R,6R)- |
| CAS Registry Number |
51911-19-4 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C42H56O5 |
| InChI |
InChI=1S/C42H56O5/c1-29(18-14-19-31(3)22-23-38-33(5)24-37(47-35(7)43)27-40(38,8)9)16-12-13-17-30(2)20-15-21-32(4)39(45)28-42(46)34(6)25-36(44)26-41(42,10)11/h12-21,34,37,46H,24-28H2,1-11H3/b13-12+,18-14+,20-15+,29-16+,30-17+,31-19+,32-21+/t34-,37-,42-/m1/s1 |
| InChIKey |
SFAFJLXOZQMTHP-IHYHGOSUSA-N |
| Molecular Weight |
640.905 g/mol |
| SMILES |
O[C@@]1(CC(\C(=C\C=C\C(=C\C=C\C=C\(\C=C\C=C\(C#CC2=C(C[C@](CC2(C)C)(OC(=O)C)[H])C)C)C)C)C)=O)C(CC(C[C@]1(C)[H])=O)(C)C |
| SPLASH |
splash10-06r6-6900001000-84d2daadbc6770cd39d4 |
| Source of Spectrum |
KC-1988-1392-2 |
| Synonyms |
(3'R,5R,6R)-6-hydroxy-3,8-dioxo-7',8'-didehydro-5,6,7,8-tetrahydro-beta,.beta.-caroten-3'-yl acetate
Isomytloxanthin acetate |
| Wiley ID |
1412664 |
