| SpectraBase Compound ID | B6h5VZlswbh |
|---|---|
| InChI | InChI=1S/C40H56O/c1-31(19-13-21-33(3)24-25-36-35(5)23-15-27-37(36,6)7)17-11-12-18-32(2)20-14-22-34(4)26-30-40-38(8,9)28-16-29-39(40,10)41-40/h11-14,17-26,30,36H,15-16,27-29H2,1-10H3/b12-11+,19-13+,20-14+,25-24+,30-26+,31-17+,32-18+,33-21+,34-22+ |
| InChIKey | WZKNIMMWWQHMCG-WWSVUWEKSA-N |
| Mol Weight | 552.9 g/mol |
| Molecular Formula | C40H56O |
| Exact Mass | 552.433116 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 6xuAB205KZk |
|---|---|
| Name | .beta.,.epsilon.-Carotene, 5,6-epoxy-5,6-dihydro-, (5S,6R,6'R)- |
| CAS Registry Number | 73574-04-6 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C40H56O |
| InChI | InChI=1S/C40H56O/c1-31(19-13-21-33(3)24-25-36-35(5)23-15-27-37(36,6)7)17-11-12-18-32(2)20-14-22-34(4)26-30-40-38(8,9)28-16-29-39(40,10)41-40/h11-14,17-26,30,36H,15-16,27-29H2,1-10H3/b12-11+,19-13+,20-14+,25-24+,30-26+,31-17+,32-18+,33-21+,34-22+ |
| InChIKey | WZKNIMMWWQHMCG-WWSVUWEKSA-N |
| Molecular Weight | 552.887 g/mol |
| SMILES | C12(OC2(CCCC1(C)C)C)\C=C\C(=C\C=C\C(=C\C=C\C=C\(\C=C\C=C\(\C=C\C1C(=CCCC1(C)C)C)C)C)C)C |
| SPLASH | splash10-0pi0-0192360000-8fe4496beb7af468dac5 |
| Source of Spectrum | H-62-2538-0 |
| Synonyms | (5S,6R,6'R)-5,6-epoxy-5,6-dihydro-.beta.,.epsilon.-Carotin 2,2,6-trimethyl-1-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethyl-2-cyclohexen-1-yl)-1,3,5,7,9,11,13,15,17-octadecanonaenyl]-7-oxabicyclo[4.1.0]heptane 7-Oxabicyclo[4.1.0]heptane, .beta.,.epsilon.-Carotene deriv. 1,5,5-trimethyl-6-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethyl-1-cyclohex-2-enyl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-7-oxabicyclo[4.1.0]heptane |
| Wiley ID | 1406040 |