| SpectraBase Compound ID | D2kVvt6xVtq |
|---|---|
| InChI | InChI=1S/C25H32O14/c1-10(28)16-13(38-24-22(32)25(33,8-27)9-36-24)5-11-4-12(34-2)6-14(17(11)21(16)35-3)37-23-20(31)19(30)18(29)15(7-26)39-23/h4-6,15,18-20,22-24,26-27,29-33H,7-9H2,1-3H3/t15-,18-,19+,20-,22-,23-,24-,25+/m0/s1 |
| InChIKey | PGDDDJBSORSPAG-RXPDYERWSA-N |
| Mol Weight | 556.5 g/mol |
| Molecular Formula | C25H32O14 |
| Exact Mass | 556.179206 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 54fP1flWlTl |
|---|---|
| Name | CASSITTOROSIDE;2-ACETYL-3-O-BETA-D-APIOFURANOSYLOXY-8-O-BETA-D-GLUCOPYRANOSYLOXY-1,6-DIMETHOXYNAPHTHALENE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C25H32O14 |
| InChI | InChI=1S/C25H32O14/c1-10(28)16-13(38-24-22(32)25(33,8-27)9-36-24)5-11-4-12(34-2)6-14(17(11)21(16)35-3)37-23-20(31)19(30)18(29)15(7-26)39-23/h4-6,15,18-20,22-24,26-27,29-33H,7-9H2,1-3H3/t15-,18-,19+,20-,22-,23-,24-,25+/m0/s1 |
| InChIKey | PGDDDJBSORSPAG-RXPDYERWSA-N |
| Literature Reference Author | J.S.CHOI,J.H.JUNG,H.J.LEE,J.H.LEE,S.S.KANG |
| Literature Reference Citation | PHYTOCHEM.,40,997(1995) |
| Literature Reference DOI | 10.1016/0031-9422(95)00318-2 |
| Molecular Weight | 556.521 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWMS2708 |