![INERMINOSIDE-D;2'-O-[5''-O-(PARA-HYDROXY-BENZOYL)-BETA-D-APOIFURANOSYL]-MUSSAENOSIDIC-ACID](/api/spectrum/JpX8HMEl45V/structure.png?h=300&w=458 "INERMINOSIDE-D;2'-O-[5''-O-(PARA-HYDROXY-BENZOYL)-BETA-D-APOIFURANOSYL]-MUSSAENOSIDIC-ACID")
| SpectraBase Compound ID | 93AXD4Sb1WT |
|---|---|
| InChI | InChI=1S/C28H36O16/c1-27(37)7-6-14-15(22(34)35)9-39-24(17(14)27)44-25-20(19(32)18(31)16(8-29)42-25)43-26-21(33)28(38,11-41-26)10-40-23(36)12-2-4-13(30)5-3-12/h2-5,9,14,16-21,24-26,29-33,37-38H,6-8,10-11H2,1H3,(H,34,35)/t14?,16-,17?,18-,19+,20-,21+,24-,25+,26-,27-,28-/m1/s1 |
| InChIKey | CFEHXHKHKXLAMI-BYFIESJCSA-N |
| Mol Weight | 628.6 g/mol |
| Molecular Formula | C28H36O16 |
| Exact Mass | 628.200335 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JpX8HMEl45V |
|---|---|
| Name | INERMINOSIDE-D;2'-O-[5''-O-(PARA-HYDROXY-BENZOYL)-BETA-D-APOIFURANOSYL]-MUSSAENOSIDIC-ACID |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C28H36O16 |
| InChI | InChI=1S/C28H36O16/c1-27(37)7-6-14-15(22(34)35)9-39-24(17(14)27)44-25-20(19(32)18(31)16(8-29)42-25)43-26-21(33)28(38,11-41-26)10-40-23(36)12-2-4-13(30)5-3-12/h2-5,9,14,16-21,24-26,29-33,37-38H,6-8,10-11H2,1H3,(H,34,35)/t14?,16-,17?,18-,19+,20-,21+,24-,25+,26-,27-,28-/m1/s1 |
| InChIKey | CFEHXHKHKXLAMI-BYFIESJCSA-N |
| Literature Reference Author | I.CALIS,M.HOSNY,A.YUERUEKER |
| Literature Reference Citation | PHYTOCHEM.,37,1083(1994) |
| Literature Reference DOI | 10.1016/S0031-9422(00)89533-3 |
| Molecular Weight | 628.584 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWLU23603 |