| SpectraBase Compound ID | 8u5qOZaWspE |
|---|---|
| InChI | InChI=1S/C26H40O12/c1-10-4-5-13(12(3)7-27)14-6-11(2)24(20(31)17(10)14)38-26-23(34)21(32)19(30)16(37-26)9-36-25-22(33)18(29)15(28)8-35-25/h6,10,12-13,15-16,18-19,21-23,25-34H,4-5,7-9H2,1-3H3/t10?,12?,13?,15-,16-,18+,19-,21+,22-,23-,25+,26+/m1/s1 |
| InChIKey | XJVQGOKRTPWSGD-GTVHCWKVSA-N |
| Mol Weight | 544.6 g/mol |
| Molecular Formula | C26H40O12 |
| Exact Mass | 544.251977 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EsXcXEUCnZF |
|---|---|
| Name | ALANGICADINOSIDE-G;2,3,12-TRIHYDROXYCALAMENENE-3-O-BETA-D-XYLOPYRANOSYL-(1->6)-BETA-D-GLUCOPYRANOSIDE |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C26H40O12 |
| InChI | InChI=1S/C26H40O12/c1-10-4-5-13(12(3)7-27)14-6-11(2)24(20(31)17(10)14)38-26-23(34)21(32)19(30)16(37-26)9-36-25-22(33)18(29)15(28)8-35-25/h6,10,12-13,15-16,18-19,21-23,25-34H,4-5,7-9H2,1-3H3/t10?,12?,13?,15-,16-,18+,19-,21+,22-,23-,25+,26+/m1/s1 |
| InChIKey | XJVQGOKRTPWSGD-GTVHCWKVSA-N |
| Literature Reference Author | K.KIJIMA,H.OTSUKA,T.IDE,C.OGIMI,E.HIRATA,A.TAKUSHI,Y.TAKEDA |
| Literature Reference Citation | PHYTOCHEM.,48,669(1998) |
| Literature Reference DOI | 10.1016/S0031-9422(98)00076-4 |
| Molecular Weight | 544.596 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWMS1130 |