![CMPD-#5;DERRISCANDENOSIDE-E-HEXAACETATE;IRISOLIDONE-7-O-[ALPHA-L-RHAMNOPYRANOSYL-(1->6)]-BETA-D-GLUCOPYRANOSIDE-HEXAACETATE;6,4-DIMETHOXY-5-HYDROXY-ISOFLAVONE-](/api/spectrum/3EPbpB9f3bZ/structure.png?h=300&w=458 "CMPD-#5;DERRISCANDENOSIDE-E-HEXAACETATE;IRISOLIDONE-7-O-[ALPHA-L-RHAMNOPYRANOSYL-(1->6)]-BETA-D-GLUCOPYRANOSIDE-HEXAACETATE;6,4-DIMETHOXY-5-HYDROXY-ISOFLAVONE-")
| SpectraBase Compound ID | GkVCSA0bYoi |
|---|---|
| InChI | InChI=1S/C41H46O21/c1-17-33(55-18(2)42)36(57-20(4)44)38(59-22(6)46)40(54-17)53-16-29-35(56-19(3)43)37(58-21(5)45)39(60-23(7)47)41(62-29)61-28-14-27-30(32(49)34(28)51-9)31(48)26(15-52-27)24-10-12-25(50-8)13-11-24/h10-15,17,29,33,35-41,49H,16H2,1-9H3/t17-,29+,33-,35+,36+,37-,38-,39+,40-,41-/m0/s1 |
| InChIKey | IAUKSNCTJXMFRW-ROOZKNMQSA-N |
| Mol Weight | 874.8 g/mol |
| Molecular Formula | C41H46O21 |
| Exact Mass | 874.253158 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3EPbpB9f3bZ |
|---|---|
| Name | CMPD-#5;DERRISCANDENOSIDE-E-HEXAACETATE;IRISOLIDONE-7-O-[ALPHA-L-RHAMNOPYRANOSYL-(1->6)]-BETA-D-GLUCOPYRANOSIDE-HEXAACETATE;6,4-DIMETHOXY-5-HYDROXY-ISOFLAVONE- |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C41H46O21 |
| InChI | InChI=1S/C41H46O21/c1-17-33(55-18(2)42)36(57-20(4)44)38(59-22(6)46)40(54-17)53-16-29-35(56-19(3)43)37(58-21(5)45)39(60-23(7)47)41(62-29)61-28-14-27-30(32(49)34(28)51-9)31(48)26(15-52-27)24-10-12-25(50-8)13-11-24/h10-15,17,29,33,35-41,49H,16H2,1-9H3/t17-,29+,33-,35+,36+,37-,38-,39+,40-,41-/m0/s1 |
| InChIKey | IAUKSNCTJXMFRW-ROOZKNMQSA-N |
| Literature Reference Author | V.RUKACHAISIRIKUL,Y.SUKPONDMA,C.JANSAKUL,W.C.TAYLOR |
| Literature Reference Citation | PHYTOCHEM.,60,827(2002) |
| Literature Reference DOI | 10.1016/S0031-9422(02)00163-2 |
| Molecular Weight | 874.804 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMS1847 |