| SpectraBase Compound ID | LYRiUWSX5rD |
|---|---|
| InChI | InChI=1S/C50H74O3/c1-39(2)31-34-46(49(11,12)52)35-32-44(7)29-19-27-42(5)25-17-23-40(3)21-15-16-22-41(4)24-18-26-43(6)28-20-30-45(8)33-36-47(50(13,14)53)37-38-48(9,10)51/h15-33,35-36,46-47,51-53H,34,37-38H2,1-14H3/b16-15+,23-17+,24-18+,27-19+,28-20+,35-32+,36-33+,40-21+,41-22+,42-25+,43-26+,44-29+,45-30+ |
| InChIKey | YZHIJCLHPFRXMT-KOJWWPMVSA-N |
| Mol Weight | 723.1 g/mol |
| Molecular Formula | C50H74O3 |
| Exact Mass | 722.563796 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 1oPijBIqpAj |
|---|---|
| Name | 3,4,3',4'-Tetradehydro-1,2,1',2'-tetrahydro-2-(3"-hydroxy-3"-methylbutyl)-2'-(3"-methylbut-2"-enyl)-.psi.,.psi.-carotene-1,1'-diol |
| Alternate Name(s) | (4E,6E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E,28E)-30-(2-hydroxypropan-2-yl)-2,6,10,14,19,23,27,33-octamethyl-3-(3-methylbut-2-en-1-yl)tetratriaconta-4,6,8,10,12,14,16,18,20,22,24,26,28-tridecaene-2,33-diol (4E,6E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E,28E)-30-(2-hydroxypropan-2-yl)-2,6,10,14,19,23,27,33-octamethyl-3-(3-methylbut-2-enyl)tetratriaconta-4,6,8,10,12,14,16,18,20,22,24,26,28-tridecaene-2,33-diol (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-(2-oxidanylpropan-2-yl)tetratriaconta-4,6,8,10,12,14,16,18,20,22,24,26,28-tridecaene-2,33-diol |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C50H74O3 |
| InChI | InChI=1S/C50H74O3/c1-39(2)31-34-46(49(11,12)52)35-32-44(7)29-19-27-42(5)25-17-23-40(3)21-15-16-22-41(4)24-18-26-43(6)28-20-30-45(8)33-36-47(50(13,14)53)37-38-48(9,10)51/h15-33,35-36,46-47,51-53H,34,37-38H2,1-14H3/b16-15+,23-17+,24-18+,27-19+,28-20+,35-32+,36-33+,40-21+,41-22+,42-25+,43-26+,44-29+,45-30+ |
| InChIKey | YZHIJCLHPFRXMT-KOJWWPMVSA-N |
| Molecular Weight | 723.139 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(CCC(O)(C)C)C(O)(C)C)C)C)C)C)C)C)CC=C(C)C)(C)C |
| SPLASH | splash10-014i-4900002100-49215d38837e9f674624 |
| Source of Spectrum | H-80-483-2 |
| Wiley ID | 1415710 |