![#8;TERNATUMOSIDE-III;KAEMPFEROL-3-O-[BETA-D-6-O-[4-HYDROXY-(E)-CINNAMOYL]-GLUCOPYRANOSYL-(1->3)]-BETA-D-GLUCOPYRANOSYL-(1->2)-ALPHA-L-RHAMNOPYRANOSIDE](/api/spectrum/2ehQcfB37fM/structure.png?h=300&w=458 "#8;TERNATUMOSIDE-III;KAEMPFEROL-3-O-[BETA-D-6-O-[4-HYDROXY-(E)-CINNAMOYL]-GLUCOPYRANOSYL-(1->3)]-BETA-D-GLUCOPYRANOSYL-(1->2)-ALPHA-L-RHAMNOPYRANOSIDE")
| SpectraBase Compound ID | 9APsnRfbJv7 |
|---|---|
| InChI | InChI=1S/C42H46O22/c1-16-28(49)37(62-41-35(56)33(54)30(51)25(61-41)15-57-26(48)11-4-17-2-7-19(44)8-3-17)39(64-40-34(55)32(53)29(50)24(14-43)60-40)42(58-16)63-38-31(52)27-22(47)12-21(46)13-23(27)59-36(38)18-5-9-20(45)10-6-18/h2-13,16,24-25,28-30,32-35,37,39-47,49-51,53-56H,14-15H2,1H3/b11-4+/t16-,24+,25-,28-,29+,30-,32-,33+,34+,35-,37+,39+,40-,41+,42-/m0/s1 |
| InChIKey | DXMJMNGHLPVWJF-OXEJKALFSA-N |
| Mol Weight | 902.8 g/mol |
| Molecular Formula | C42H46O22 |
| Exact Mass | 902.248073 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2ehQcfB37fM |
|---|---|
| Name | #8;TERNATUMOSIDE-III;KAEMPFEROL-3-O-[BETA-D-6-O-[4-HYDROXY-(E)-CINNAMOYL]-GLUCOPYRANOSYL-(1->3)]-BETA-D-GLUCOPYRANOSYL-(1->2)-ALPHA-L-RHAMNOPYRANOSIDE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H46O22 |
| InChI | InChI=1S/C42H46O22/c1-16-28(49)37(62-41-35(56)33(54)30(51)25(61-41)15-57-26(48)11-4-17-2-7-19(44)8-3-17)39(64-40-34(55)32(53)29(50)24(14-43)60-40)42(58-16)63-38-31(52)27-22(47)12-21(46)13-23(27)59-36(38)18-5-9-20(45)10-6-18/h2-13,16,24-25,28-30,32-35,37,39-47,49-51,53-56H,14-15H2,1H3/b11-4+/t16-,24+,25-,28-,29+,30-,32-,33+,34+,35-,37+,39+,40-,41+,42-/m0/s1 |
| InChIKey | DXMJMNGHLPVWJF-OXEJKALFSA-N |
| Literature Reference Author | T.WARASHINA,K.UMEHARA,T.MIYASE |
| Literature Reference Citation | CHEM.PHARM.BULL.,60,1561(2012) |
| Literature Reference DOI | 10.1248/cpb.c12-00744 |
| Molecular Weight | 902.814 g/mol |
| Source File Reference | UWBT4676 |