| SpectraBase Compound ID | GuCeerBQnW |
|---|---|
| InChI | InChI=1S/C50H70O/c1-39(2)31-35-48(41(5)6)36-33-46(11)29-19-27-44(9)25-17-23-42(7)21-15-16-22-43(8)24-18-26-45(10)28-20-30-47(12)34-38-49(50(13,14)51)37-32-40(3)4/h15-34,36,38,49,51H,35,37H2,1-14H3/b16-15+,23-17+,24-18+,27-19+,28-20+,36-33+,38-34+,42-21+,43-22+,44-25+,45-26+,46-29+,47-30+/t49-/m0/s1 |
| InChIKey | ITKQGMYWKIZFRV-OFGFVOLHSA-N |
| Mol Weight | 687.1 g/mol |
| Molecular Formula | C50H70O |
| Exact Mass | 686.542667 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | IUzwiGGl4ko |
|---|---|
| Name | .psi.,.psi.-Carotene, 3,3',4,4'-tetradehydro-1,2-dihydro-1-hydroxy-2,2'-bis(3-methyl-2-butenyl)-, (2S)- |
| CAS Registry Number | 106927-21-3 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C50H70O |
| InChI | InChI=1S/C50H70O/c1-39(2)31-35-48(41(5)6)36-33-46(11)29-19-27-44(9)25-17-23-42(7)21-15-16-22-43(8)24-18-26-45(10)28-20-30-47(12)34-38-49(50(13,14)51)37-32-40(3)4/h15-34,36,38,49,51H,35,37H2,1-14H3/b16-15+,23-17+,24-18+,27-19+,28-20+,36-33+,38-34+,42-21+,43-22+,44-25+,45-26+,46-29+,47-30+/t49-/m0/s1 |
| InChIKey | ITKQGMYWKIZFRV-OFGFVOLHSA-N |
| Molecular Weight | 687.109 g/mol |
| SMILES | OC([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)(CC=C(C)C)[H])(C)C |
| SPLASH | splash10-014l-9800000000-d81fa70cfc4abaeccb5d |
| Source of Spectrum | H-69-68-0 |
| Synonyms | (3S,4E,6E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E,28E)-2,6,10,14,19,23,27,33-octamethyl-3-(3-methylbut-2-en-1-yl)-30-(propan-2-ylidene)tetratriaconta-4,6,8,10,12,14,16,18,20,22,24,26,28,32-tetradecaen-2-ol (S)-trisanhydrobacterioruberin (3S,4E,6E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E,28E)-2,6,10,14,19,23,27,33-octamethyl-3-(3-methylbut-2-enyl)-30-propan-2-ylidene-2-tetratriaconta-4,6,8,10,12,14,16,18,20,22,24,26,28,32-tetradecaenol (3S,4E,6E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E,28E)-2,6,10,14,19,23,27,33-octamethyl-3-(3-methylbut-2-enyl)-30-propan-2-ylidenetetratriaconta-4,6,8,10,12,14,16,18,20,22,24,26,28,32-tetradecaen-2-ol (3S,4E,6E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E,28E)-2,6,10,14,19,23,27,33-octamethyl-3-(3-methylbut-2-enyl)-30-propan-2-ylidene-tetratriaconta-4,6,8,10,12,14,16,18,20,22,24,26,28,32-tetradecaen-2-ol |
| Wiley ID | 1414575 |