![(2S,4R)-4-Hydroxy-4'-methoxy-8-methyl-11,2"'-oxidoflavan-5,7-bis[O-.beta.-D-glucopyranoside]](/api/spectrum/CFYiUzH9PQf/structure.png?h=300&w=458 "(2S,4R)-4-Hydroxy-4'-methoxy-8-methyl-11,2\"'-oxidoflavan-5,7-bis[O-.beta.-D-glucopyranoside]")
| SpectraBase Compound ID | DSfU9FFzMUR |
|---|---|
| InChI | InChI=1S/C30H38O15/c1-11-25-14(10-40-28-23(37)21(35)18(9-32)43-30(28)44-25)27(45-29-24(38)22(36)20(34)17(8-31)42-29)19-15(33)7-16(41-26(11)19)12-3-5-13(39-2)6-4-12/h3-6,15-18,20-24,28-38H,7-10H2,1-2H3/t15?,16-,17+,18?,20+,21+,22-,23?,24-,28?,29-,30-/m0/s1 |
| InChIKey | BNUJOMJNLGIKGM-PTQWSSEBSA-N |
| Mol Weight | 638.6 g/mol |
| Molecular Formula | C30H38O15 |
| Exact Mass | 638.221071 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | CFYiUzH9PQf |
|---|---|
| Name | (2S,4R)-4-Hydroxy-4'-methoxy-8-methyl-11,2"'-oxidoflavan-5,7-bis[O-.beta.-D-glucopyranoside] |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C30H38O15 |
| InChI | InChI=1S/C30H38O15/c1-11-25-14(10-40-28-23(37)21(35)18(9-32)43-30(28)44-25)27(45-29-24(38)22(36)20(34)17(8-31)42-29)19-15(33)7-16(41-26(11)19)12-3-5-13(39-2)6-4-12/h3-6,15-18,20-24,28-38H,7-10H2,1-2H3/t15?,16-,17+,18?,20+,21+,22-,23?,24-,28?,29-,30-/m0/s1 |
| InChIKey | BNUJOMJNLGIKGM-PTQWSSEBSA-N |
| Molecular Weight | 638.619 g/mol |
| SMILES | O[C@]1([C@@]([C@](O[C@]([C@]1(O)[H])(Oc1c2c(O[C@@]3(OC(CO)[C@](C(C3OC2)O)(O)[H])[H])c(c2c1C(C[C@@](c1ccc(cc1)OC)(O2)[H])O)C)[H])(CO)[H])(O)[H])[H] |
| SPLASH | splash10-001j-1790100000-fde97236569443ff7953 |
| Source of Spectrum | G4-69-268-4 |
| Synonyms | Abacopterin D |
| Wiley ID | 1694296 |