![(2' S)-2-[4''-(.beta.-D-Glucopyranosyloxy)-3''-methylbut-2''-enyl]-2'-(4"'-hydroxy-3"'-methylbut-2"'-enyl)-.beta.,.beta.-carotene](/api/spectrum/2g4IWFRJEAV/structure.png?h=300&w=458 "(2' S)-2-[4''-(.beta.-D-Glucopyranosyloxy)-3''-methylbut-2''-enyl]-2'-(4\"'-hydroxy-3\"'-methylbut-2\"'-enyl)-.beta.,.beta.-carotene")
| SpectraBase Compound ID | Eh9ah72IXq |
|---|---|
| InChI | InChI=1S/C56H82O7/c1-39(2)27-32-48(56(12,13)61)34-28-43(6)25-18-24-42(5)23-16-21-40(3)19-14-15-20-41(4)22-17-26-44(7)30-36-49-46(9)31-35-47(55(49,10)11)33-29-45(8)38-62-54-53(60)52(59)51(58)50(37-57)63-54/h14-30,34,36,47-48,50-54,57-61H,31-33,35,37-38H2,1-13H3/b15-14+,21-16+,22-17+,24-18+,34-28+,36-30+,40-19+,41-20+,42-23+,43-25+,44-26+,45-29+/t47?,48?,50-,51?,52+,53-,54-/m1/s1 |
| InChIKey | LGDWPFWIHIKTNI-SKVNHSOFSA-N |
| Mol Weight | 867.3 g/mol |
| Molecular Formula | C56H82O7 |
| Exact Mass | 866.606055 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 2g4IWFRJEAV |
|---|---|
| Name | (2' S)-2-[4''-(.beta.-D-Glucopyranosyloxy)-3''-methylbut-2''-enyl]-2'-(4"'-hydroxy-3"'-methylbut-2"'-enyl)-.beta.,.beta.-carotene |
| Alternate Name(s) | (2' S)-2-[4''-(.beta.-D-Glucopyranosyloxy)-3''-methylbut-2''-enyl]-2'-(4'''-hydroxy-3'''-methylbut-2'''-enyl)-.beta.,.beta.-carotene |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C56H82O7 |
| InChI | InChI=1S/C56H82O7/c1-39(2)27-32-48(56(12,13)61)34-28-43(6)25-18-24-42(5)23-16-21-40(3)19-14-15-20-41(4)22-17-26-44(7)30-36-49-46(9)31-35-47(55(49,10)11)33-29-45(8)38-62-54-53(60)52(59)51(58)50(37-57)63-54/h14-30,34,36,47-48,50-54,57-61H,31-33,35,37-38H2,1-13H3/b15-14+,21-16+,22-17+,24-18+,34-28+,36-30+,40-19+,41-20+,42-23+,43-25+,44-26+,45-29+/t47?,48?,50-,51?,52+,53-,54-/m1/s1 |
| InChIKey | LGDWPFWIHIKTNI-SKVNHSOFSA-N |
| Molecular Weight | 867.265 g/mol |
| SMILES | O[C@]1(C([C@](O[C@]([C@@]1(O)[H])(OC\C(=C\CC1C(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(O)(C)C)CC=C(C)C)C)C)C)C)C)=C(CC1)C)(C)C)C)[H])(CO)[H])O)[H] |
| SPLASH | splash10-0pdv-9753000000-39be0eca621698ed45c2 |
| Source of Spectrum | H-83-335-5 |
| Wiley ID | 846975 |