| SpectraBase Spectrum ID |
4SRQvkMq2k5 |
| Name |
.beta.,.beta.-Carotene, 2,5:2',5'-diepoxy-15,15'-didehydro-5,5',6,6'-tetrahydro-, (2S,2'S,5R,5'R,6S,6'S)- |
| Alternate Name(s) |
7-Oxabicyclo[2.2.1]heptane, .beta.,.beta.-carotene deriv.
(1R,2S,4S)-1,3,3-trimethyl-2-{(1E,3E,5E,7E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-[(1R,2S,4S)-1,3,3-trimethyl-7-oxabicyclo[2.2.1]hept-2-yl]-1,3,5,7,11,13,15,17-octadecaoctaen-9-ynyl}-7-oxabicyclo[2.2.1]heptane
(2S,2'S,5R,6S,6'S,all-E)-15,15'-didehydro-2,5:2',5'-diepoxy-5,6,5',6'-tetrahydro-.beta.,.beta.-carotene |
| CAS Registry Number |
132168-54-8 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C40H54O2 |
| InChI |
InChI=1S/C40H54O2/c1-29(17-13-19-31(3)21-23-33-37(5,6)35-25-27-39(33,9)41-35)15-11-12-16-30(2)18-14-20-32(4)22-24-34-38(7,8)36-26-28-40(34,10)42-36/h13-24,33-36H,25-28H2,1-10H3/b17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t33-,34-,35-,36-,39+,40+/m0/s1 |
| InChIKey |
BDIBSIINMZORBH-FSRFFBNGSA-N |
| Molecular Weight |
566.870 g/mol |
| SMILES |
[C@@]12(O[C@@](CC2)(C([C@@]1(\C=C\C(=C\C=C\C(=C\C#C\C=C\(\C=C\C=C\(\C=C\[C@@]1([C@@]2(O[C@](C1(C)C)(CC2)[H])C)[H])C)C)C)C)[H])(C)C)[H])C |
| SPLASH |
splash10-066r-1960050000-282fdbfad21d615bc0bb |
| Source of Spectrum |
H-73-2197-12 |
| Wiley ID |
1407398 |
