| SpectraBase Compound ID | H2tQKZPS1Xx |
|---|---|
| InChI | InChI=1S/C28H36O15/c29-9-13-8-15(39-27-23(36)21(34)19(32)16(10-30)40-27)14-6-7-38-26(18(13)14)43-28-24(22(35)20(33)17(11-31)41-28)42-25(37)12-4-2-1-3-5-12/h1-8,14-24,26-36H,9-11H2/t14-,15+,16-,17-,18+,19-,20-,21+,22+,23-,24-,26-,27-,28+/m0/s1 |
| InChIKey | WXNQSTOMZQBQPW-UVRRUJDYSA-N |
| Mol Weight | 612.6 g/mol |
| Molecular Formula | C28H36O15 |
| Exact Mass | 612.20542 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5Xx9XIZUnRT |
|---|---|
| Name | 6-O-GLUCOSYL-2'-O-BENZOYLAUCUBIN |
| Compound Number | 64 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C28H36O15 |
| InChI | InChI=1S/C28H36O15/c29-9-13-8-15(39-27-23(36)21(34)19(32)16(10-30)40-27)14-6-7-38-26(18(13)14)43-28-24(22(35)20(33)17(11-31)41-28)42-25(37)12-4-2-1-3-5-12/h1-8,14-24,26-36H,9-11H2/t14-,15+,16-,17-,18+,19-,20-,21+,22+,23-,24-,26-,27-,28+/m0/s1 |
| InChIKey | WXNQSTOMZQBQPW-UVRRUJDYSA-N |
| Literature Reference Author | C.A.BOROS,F.R.STERMITZ |
| Literature Reference Citation | J.NAT.PROD.,53,1055(1990) |
| Literature Reference DOI | 10.1021/np50071a001 |
| Molecular Weight | 612.585 g/mol |
| Solvent | D2O |
| Source File Reference | UWMZ16058 |