| SpectraBase Compound ID | IbP1LsPcs8D |
|---|---|
| InChI | InChI=1S/C27H28O11/c1-11(2)8-18(31)37-24-22(33)25(38-26(23(24)34)36-13(4)28)27(35)14-6-5-7-16(29)19(14)21(32)20-15(27)9-12(3)10-17(20)30/h5-10,22-26,29-30,33-35H,1-4H3/t22-,23-,24-,25+,26+,27-/m1/s1 |
| InChIKey | CWTBVTWONZDFAF-IQKWJPHWSA-N |
| Mol Weight | 528.51 g/mol |
| Molecular Formula | C27H28O11 |
| Exact Mass | 528.163162 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 3TUqadIUftU |
|---|---|
| Name | Alvaradoin I |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H28O11 |
| InChI | InChI=1S/C27H28O11/c1-11(2)8-18(31)37-24-22(33)25(38-26(23(24)34)36-13(4)28)27(35)14-6-5-7-16(29)19(14)21(32)20-15(27)9-12(3)10-17(20)30/h5-10,22-26,29-30,33-35H,1-4H3/t22-,23-,24-,25+,26+,27-/m1/s1 |
| InChIKey | CWTBVTWONZDFAF-IQKWJPHWSA-N |
| Molecular Weight | 528.510 g/mol |
| SMILES | O[C@@]1([C@]([C@]([C@](O[C@@]1([C@@]1(c2c(c(O)cc(c2)C)C(c2c1cccc2O)=O)O)[H])(OC(=O)C)[H])(O)[H])(OC(C=C(C)C)=O)[H])[H] |
| SPLASH | splash10-0a59-3090000000-8c9326e3d72dacc49058 |
| Source of Spectrum | G4-70-960-5 |
| Synonyms | 3-Methyl-2-butenoic acid [(2R,3R,4R,5R,6S)-2-acetyloxy-3,5-dihydroxy-6-[(9R)-4,5,9-trihydroxy-2-methyl-10-oxo-9-anthracenyl]-4-oxanyl] ester [(2R,3R,4R,5R,6S)-2-acetyloxy-3,5-dihydroxy-6-[(9R)-4,5,9-trihydroxy-2-methyl-10-oxoanthracen-9-yl]oxan-4-yl] 3-methylbut-2-enoate [(2R,3R,4R,5R,6S)-2-acetoxy-3,5-dihydroxy-6-[(9R)-4,5,9-trihydroxy-2-methyl-10-oxo-9-anthryl]tetrahydropyran-4-yl] 3-methylbut-2-enoate [(2R,3R,4R,5R,6S)-2-acetyloxy-6-[(9R)-2-methyl-4,5,9-tris(oxidanyl)-10-oxidanylidene-anthracen-9-yl]-3,5-bis(oxidanyl)oxan-4-yl] 3-methylbut-2-enoate |
| Wiley ID | 1694774 |