| SpectraBase Spectrum ID |
2NjWU1K8MNJ |
| Name |
.beta.,.beta.-Carotene, 15,15'-didehydro-3,6:3',6':4,5:4',5'-tetraepoxy-5,5',6,6'-tetrahydro-, (3S,3'S,4R,4'R,5R,5'R,6R,6'R)- |
| Alternate Name(s) |
3,8-Dioxatricyclo[3.2.1.02,4]octane, .beta.,.beta.-carotene deriv.
(1R,2R,4R,5S)-2,7,7-trimethyl-1-{(1E,3E,5E,7E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-[(1R,2R,4R,5S)-2,7,7-trimethyl-3,8-dioxatricyclo[3.2.1.0(2,4)]oct-1-yl]-1,3,5,7,11,13,15,17-octadecaoctaen-9-ynyl}-3,8-dioxatricyclo[3.2.1.0(2,4)]octane
(3S,3'S,4R,4'R,5R,5'R,6R,6'R,all E)-3,6:4,5:3',6':4',5'-tetraepoxy-15,15'-didehydro-4,5,4',5'tetrahydro-.epsilon.,.epsilon.-Carotene |
| CAS Registry Number |
132274-17-0 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C40H50O4 |
| InChI |
InChI=1S/C40H50O4/c1-27(17-13-19-29(3)21-23-39-35(5,6)25-31(41-39)33-37(39,9)43-33)15-11-12-16-28(2)18-14-20-30(4)22-24-40-36(7,8)26-32(42-40)34-38(40,10)44-34/h13-24,31-34H,25-26H2,1-10H3/b17-13+,18-14+,23-21+,24-22+,27-15+,28-16+,29-19+,30-20+/t31-,32-,33+,34+,37+,38+,39+,40+/m0/s1 |
| InChIKey |
DGKPZWJBSHJUMP-WHHXCFKQSA-N |
| Molecular Weight |
594.836 g/mol |
| SMILES |
[C@]12([C@@]3(O[C@]([C@]2(O1)[H])(CC3(C)C)[H])\C=C\C(=C\C=C\C(=C\C#C\C=C\(\C=C\C=C\(\C=C\[C@]12[C@]3([C@@]([C@@](O2)(CC1(C)C)[H])(O3)[H])C)C)C)C)C)C |
| SPLASH |
splash10-05ng-1950010000-d1016dc9e92fc238dee0 |
| Source of Spectrum |
H-73-1967-32 |
| Wiley ID |
1409703 |
