| SpectraBase Spectrum ID |
I07e6oLq1of |
| Name |
Isofucoxanthinol |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C40H56O5 |
| InChI |
InChI=1S/C40H56O5/c1-28(17-13-18-30(3)21-22-35-37(5,6)24-32(41)26-39(35,9)44)15-11-12-16-29(2)19-14-20-31(4)34(43)23-36-38(7,8)25-33(42)27-40(36,10)45/h11-21,23,32-33,41-42,44-45H,24-27H2,1-10H3/b12-11+,17-13+,19-14+,28-15+,29-16+,30-18+,31-20+,36-23+/t22?,32-,33-,39+,40+/m0/s1 |
| InChIKey |
MMJDJIJUPVPKSW-NYHICDMRSA-N |
| Molecular Weight |
616.883 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\2[C@@](C[C@](CC2(C)C)(O)[H])(O)C)=O)C)C)C)C)C(C1)(C)C)(O)C)[H] |
| SPLASH |
splash10-00dj-0360092000-989630f4b2e0c2646589 |
| Source of Spectrum |
SB-46-623-4 |
| Synonyms |
(3S,3'S,5R,5'R,6E)-3,3',5,5'-tetrahydroxy-6,6',7,7'-tetradehydro-5,5',6,6',7,8-hexahydro-beta,.beta.-caroten-8-one
Isofucoxanthinol hemiketal |
| Wiley ID |
1411350 |
