| SpectraBase Spectrum ID |
56LCCeo3Yuu |
| Name |
8,8'-Diapo-.psi.,.psi.-carotenedioic acid, bis(2,3,4,6-tetra-O-acetyl-.beta.-D-glucopyranosyl) ester |
| Alternate Name(s) |
bis(2S,3R,4S,5R,6R)-3,4,5-tris(acetyloxy)-6-[(acetyloxy)methyl]oxan-2-yl (2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioate
Di-(2,3,4,6-tetra-O-acetyl-.beta.-D-glucosyl) ester of crocetin |
| CAS Registry Number |
72504-49-5 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C48H60O22 |
| InChI |
InChI=1S/C48H60O22/c1-25(19-15-21-27(3)45(57)69-47-43(65-35(11)55)41(63-33(9)53)39(61-31(7)51)37(67-47)23-59-29(5)49)17-13-14-18-26(2)20-16-22-28(4)46(58)70-48-44(66-36(12)56)42(64-34(10)54)40(62-32(8)52)38(68-48)24-60-30(6)50/h13-22,37-44,47-48H,23-24H2,1-12H3/b14-13+,19-15+,20-16+,25-17+,26-18+,27-21+,28-22+/t37-,38-,39-,40-,41+,42+,43-,44-,47+,48+/m1/s1 |
| InChIKey |
XUFFPYSEXMKREE-GOAKIXCLSA-N |
| Molecular Weight |
988.986 g/mol |
| SMILES |
[C@@]1([C@]([C@](OC(=O)C)([C@](O[C@]1(OC(\C(=C\C=C\C(=C\C=C\C=C\(\C=C\C=C\(C(O[C@]1([C@@]([C@@](OC(=O)C)([C@@]([C@](O1)(COC(=O)C)[H])(OC(=O)C)[H])[H])(OC(=O)C)[H])[H])=O)C)C)C)C)=O)[H])(COC(=O)C)[H])[H])(OC(=O)C)[H])(OC(=O)C)[H] |
| SPLASH |
splash10-014i-0902000000-d3b0d2d4bba60c4cbccd |
| Source of Spectrum |
H-62-1951-0 |
| Wiley ID |
1418363 |
