| SpectraBase Compound ID | Bj1KlTJi8p0 |
|---|---|
| InChI | InChI=1S/C40H56O2/c1-31(19-13-21-33(3)23-29-39-35(5,6)25-15-27-37(39,9)41-39)17-11-12-18-32(2)20-14-22-34(4)24-30-40-36(7,8)26-16-28-38(40,10)42-40/h11-14,17-24,29-30H,15-16,25-28H2,1-10H3/b12-11+,19-13+,20-14+,29-23+,30-24+,31-17+,32-18+,33-21+,34-22+/t37-,38-,39+,40+/m1/s1 |
| InChIKey | JMZDCQZKLCHTFI-HPLZOGFXSA-N |
| Mol Weight | 568.9 g/mol |
| Molecular Formula | C40H56O2 |
| Exact Mass | 568.428031 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | I3cc77ibVI6 |
|---|---|
| Name | .beta.,.beta.-Carotene, 5,6:5',6'-diepoxy-5,5',6,6'-tetrahydro-, (5R,5'R,6S,6'S)- |
| CAS Registry Number | 96290-88-9 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C40H56O2 |
| InChI | InChI=1S/C40H56O2/c1-31(19-13-21-33(3)23-29-39-35(5,6)25-15-27-37(39,9)41-39)17-11-12-18-32(2)20-14-22-34(4)24-30-40-36(7,8)26-16-28-38(40,10)42-40/h11-14,17-24,29-30H,15-16,25-28H2,1-10H3/b12-11+,19-13+,20-14+,29-23+,30-24+,31-17+,32-18+,33-21+,34-22+/t37-,38-,39+,40+/m1/s1 |
| InChIKey | JMZDCQZKLCHTFI-HPLZOGFXSA-N |
| Molecular Weight | 568.886 g/mol |
| SMILES | [C@@]12(O[C@@]2(CCCC1(C)C)C)\C=C\C(=C\C=C\C(=C\C=C\C=C\(\C=C\C=C\(\C=C\[C@]12O[C@@]2(CCCC1(C)C)C)C)C)C)C |
| SPLASH | splash10-0aou-7290000000-8640dd4057463b8aed16 |
| Source of Spectrum | H-67-2230-0 |
| Synonyms | .beta.,.beta.-Carotene, 5,6:5',8'-diepoxy-5,5',6,8'-tetrahydro-, (5R,5'R,6S,8'R)- .beta.,.beta.-Carotene, 5,6:5',8'-diepoxy-5,5',6,8'-tetrahydro-, (5R,5'R,6S,8'S)- (5R,6S,5'R,8'S)-Luteochrome (1S,6R)-2,2,6-trimethyl-1-{(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-[(1S,6R)-2,2,6-trimethyl-7-oxabicyclo[4.1.0]hept-1-yl]-1,3,5,7,9,11,13,15,17-octadecanonaenyl}-7-oxabicyclo[4.1.0]heptane (5R,6S,5'R,8'R)-Luteochrome (5R,6S,5'R,6'S)-5,6,5',6'-diepoxy-.beta.,.beta.-carotine 7-Oxabicyclo[4.1.0]heptane, .beta.,.beta.-carotene deriv. |
| Wiley ID | 1407597 |