| SpectraBase Compound ID | 7Gsj7VZgPPm |
|---|---|
| InChI | InChI=1S/C26H40O12/c1-13(7-9-27)4-5-14(2)10-18(28)35-12-17-20(29)21(30)22(31)25(37-17)38-24-19-15(6-8-26(19,3)34)16(11-36-24)23(32)33/h10-11,13,15,17,19-22,24-25,27,29-31,34H,4-9,12H2,1-3H3,(H,32,33)/b14-10+/t13?,15-,17+,19-,20+,21-,22+,24+,25-,26+/m1/s1 |
| InChIKey | DMANSSCQOPWPRB-QLXYZQPJSA-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 | JeoWPt1Mokx |
|---|---|
| Name | AGNUCASTOSIDE-B;6'-O-(6,7-DIHYDROFOLIAMENTHOYL)-MUSSAENOSIDIC-ACID |
| Compound Number | 173 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C26H40O12 |
| InChI | InChI=1S/C26H40O12/c1-13(7-9-27)4-5-14(2)10-18(28)35-12-17-20(29)21(30)22(31)25(37-17)38-24-19-15(6-8-26(19,3)34)16(11-36-24)23(32)33/h10-11,13,15,17,19-22,24-25,27,29-31,34H,4-9,12H2,1-3H3,(H,32,33)/b14-10+/t13?,15-,17+,19-,20+,21-,22+,24+,25-,26+/m1/s1 |
| InChIKey | DMANSSCQOPWPRB-QLXYZQPJSA-N |
| Literature Reference Author | B.DINDA,S.DEBNATH,Y.HARIGAYA |
| Literature Reference Citation | CHEM.PHARM.BULL.,55,159(2007) |
| Literature Reference DOI | 10.1248/cpb.55.159 |
| Molecular Weight | 544.596 g/mol |
| Sample ID | 37969 |
| Solvent | CD3OD |