| SpectraBase Compound ID | A6GDP811qJF |
|---|---|
| InChI | InChI=1S/C50H68/c1-39(2)31-35-49(41(5)6)37-33-47(13)29-19-27-45(11)25-17-23-43(9)21-15-16-22-44(10)24-18-26-46(12)28-20-30-48(14)34-38-50(42(7)8)36-32-40(3)4/h15-34,37-38,49-50H,5,7,35-36H2,1-4,6,8-14H3/b16-15+,23-17+,24-18+,27-19+,28-20+,37-33+,38-34+,43-21+,44-22+,45-25+,46-26+,47-29+,48-30+ |
| InChIKey | DXCUPESEKVNYGW-MAEQUWTESA-N |
| Mol Weight | 669.1 g/mol |
| Molecular Formula | C50H68 |
| Exact Mass | 668.532102 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 3N52FD7O4o7 |
|---|---|
| Name | .psi.,.psi.-Carotene, 1,1',3,3',4,4',16,16'-octadehydro-1,1',2,2'-tetrahydro-2,2'-bis(3-methyl-2-butenyl)-, (2S,2'S)- |
| CAS Registry Number | 30627-86-2 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C50H68 |
| InChI | InChI=1S/C50H68/c1-39(2)31-35-49(41(5)6)37-33-47(13)29-19-27-45(11)25-17-23-43(9)21-15-16-22-44(10)24-18-26-46(12)28-20-30-48(14)34-38-50(42(7)8)36-32-40(3)4/h15-34,37-38,49-50H,5,7,35-36H2,1-4,6,8-14H3/b16-15+,23-17+,24-18+,27-19+,28-20+,37-33+,38-34+,43-21+,44-22+,45-25+,46-26+,47-29+,48-30+ |
| InChIKey | DXCUPESEKVNYGW-MAEQUWTESA-N |
| Molecular Weight | 669.094 g/mol |
| SMILES | C(\C=C\C(=C\C=C\C(=C\C=C\C(=C\C=C\C=C\(\C=C\C=C\(\C=C\C=C\(\C=C\C(C(=C)C)CC=C(C)C)C)C)C)C)C)C)(C(=C)C)CC=C(C)C |
| SPLASH | splash10-02tc-9000045000-5d93cc1298b9434b0478 |
| Source of Spectrum | SB-33-557-0 |
| Synonyms | (2S,2'S)-Tetraanhydrobecterioruberin (6E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E,28E,30E)-2,8,12,16,21,25,29,35-octamethyl-5,32-bis(prop-1-en-2-yl)hexatriaconta-2,6,8,10,12,14,16,18,20,22,24,26,28,30,34-pentadecaene 2,6,8,10,12,14,16,18,20,22,24,26,28,30,34-Hexatriacontapentadecaene, 5,32-diisopropenyl-2,8,12,16,21,25,29,35-octamethyl-, (all-E)- Semisynthetic tetraanhydrobacterioruberin (method a) Tetraanhydrobacterioruberin |
| Wiley ID | 1413882 |