![INERMINOSIDE-C;2'-O-[5''-O-(8-HYDROXY-2,6-DIMETHYL-2-(E)-OCTENOYL)-BETA-D-APOIFURANOSYL]-GARDOSIDE](/api/spectrum/6gKom9IPGEB/structure.png?h=300&w=458 "INERMINOSIDE-C;2'-O-[5''-O-(8-HYDROXY-2,6-DIMETHYL-2-(E)-OCTENOYL)-BETA-D-APOIFURANOSYL]-GARDOSIDE")
| SpectraBase Compound ID | 4Rv3UZZbwES |
|---|---|
| InChI | InChI=1S/C31H46O16/c1-14(7-8-32)5-4-6-15(2)27(40)43-12-31(41)13-44-30(25(31)37)46-24-23(36)22(35)20(10-33)45-29(24)47-28-21-16(3)19(34)9-17(21)18(11-42-28)26(38)39/h6,11,14,17,19-25,28-30,32-37,41H,3-5,7-10,12-13H2,1-2H3,(H,38,39)/b15-6+/t14?,17?,19-,20-,21?,22-,23+,24-,25+,28-,29+,30-,31-/m1/s1 |
| InChIKey | DXKBUDRBDSPMIW-LOWPVMEJSA-N |
| Mol Weight | 674.7 g/mol |
| Molecular Formula | C31H46O16 |
| Exact Mass | 674.278585 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6gKom9IPGEB |
|---|---|
| Name | INERMINOSIDE-C;2'-O-[5''-O-(8-HYDROXY-2,6-DIMETHYL-2-(E)-OCTENOYL)-BETA-D-APOIFURANOSYL]-GARDOSIDE |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H46O16 |
| InChI | InChI=1S/C31H46O16/c1-14(7-8-32)5-4-6-15(2)27(40)43-12-31(41)13-44-30(25(31)37)46-24-23(36)22(35)20(10-33)45-29(24)47-28-21-16(3)19(34)9-17(21)18(11-42-28)26(38)39/h6,11,14,17,19-25,28-30,32-37,41H,3-5,7-10,12-13H2,1-2H3,(H,38,39)/b15-6+/t14?,17?,19-,20-,21?,22-,23+,24-,25+,28-,29+,30-,31-/m1/s1 |
| InChIKey | DXKBUDRBDSPMIW-LOWPVMEJSA-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 | 674.697 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWLU23602 |