| SpectraBase Compound ID | HTkPSU4zPsB |
|---|---|
| InChI | InChI=1S/C26H40O12/c1-13(8-10-27)5-4-6-14(2)23(33)35-12-17-19(28)20(29)21(30)25(37-17)38-24-18-15(7-9-26(18,3)34)16(11-36-24)22(31)32/h6,11,13,15,17-21,24-25,27-30,34H,4-5,7-10,12H2,1-3H3,(H,31,32)/b14-6+/t13?,15?,17-,18?,19-,20+,21-,24-,25+,26-/m0/s1 |
| InChIKey | NCHUIUBVZLLXAJ-CHCBMHJJSA-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 | 3yR3oDjOlC4 |
|---|---|
| Name | AGNUCASTOSIDE-B |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C26H40O12 |
| InChI | InChI=1S/C26H40O12/c1-13(8-10-27)5-4-6-14(2)23(33)35-12-17-19(28)20(29)21(30)25(37-17)38-24-18-15(7-9-26(18,3)34)16(11-36-24)22(31)32/h6,11,13,15,17-21,24-25,27-30,34H,4-5,7-10,12H2,1-3H3,(H,31,32)/b14-6+/t13?,15?,17-,18?,19-,20+,21-,24-,25+,26-/m0/s1 |
| InChIKey | NCHUIUBVZLLXAJ-CHCBMHJJSA-N |
| Literature Reference Author | A.KURUUEZUEU-UZ,K.STROECH,L.O.DEMIREZER,A.ZEECK |
| Literature Reference Citation | PHYTOCHEM.,63,958(2003) |
| Molecular Weight | 544.596 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWMS28458 |