| SpectraBase Compound ID | KKTNB61nWSl |
|---|---|
| InChI | InChI=1S/C27H32O15/c1-9-20(33)22(35)24(37)26(38-9)42-25-23(36)21(34)18(8-28)41-27(25)39-11-5-14(31)19-15(32)7-16(40-17(19)6-11)10-2-3-12(29)13(30)4-10/h2-6,9,16,18,20-31,33-37H,7-8H2,1H3/t9-,16-,18+,20-,21+,22?,23-,24+,25+,26-,27+/m0/s1 |
| InChIKey | OBKKEZLIABHSGY-UAJOUXOCSA-N |
| Mol Weight | 596.5 g/mol |
| Molecular Formula | C27H32O15 |
| Exact Mass | 596.17412 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | EloJF03sOUE |
|---|---|
| Name | Neoeriocitrin |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H32O15 |
| InChI | InChI=1S/C27H32O15/c1-9-20(33)22(35)24(37)26(38-9)42-25-23(36)21(34)18(8-28)41-27(25)39-11-5-14(31)19-15(32)7-16(40-17(19)6-11)10-2-3-12(29)13(30)4-10/h2-6,9,16,18,20-31,33-37H,7-8H2,1H3/t9-,16-,18+,20-,21+,22?,23-,24+,25+,26-,27+/m0/s1 |
| InChIKey | OBKKEZLIABHSGY-UAJOUXOCSA-N |
| Molecular Weight | 596.538 g/mol |
| SMILES | O[C@]1([C@@]([C@](O[C@]([C@@]1(O[C@]1([C@@](C([C@]([C@@](O1)(C)[H])(O)[H])O)(O)[H])[H])[H])(Oc1cc2O[C@@](c3cc(O)c(cc3)O)([H])CC(c2c(c1)O)=O)[H])(CO)[H])(O)[H])[H] |
| SPLASH | splash10-0ue0-2920000000-02bdac9a50f72f0da9ae |
| Source of Spectrum | E1-42-1671-6 |
| Wiley ID | 1552702 |