![DERRISCANDENOSIDE-B-HEPTAACETATE;7,8-DIHYDROXY-4'-METHOXYISOFLAVONE-7-O-[ALPHA-RHAMNOPYRANOSYL-(1->6)]-BETA-GLUCOPYRANOSIDE-HEPTAACETATE](/api/spectrum/21RBHR4cc76/structure.png?h=300&w=458 "DERRISCANDENOSIDE-B-HEPTAACETATE;7,8-DIHYDROXY-4'-METHOXYISOFLAVONE-7-O-[ALPHA-RHAMNOPYRANOSYL-(1->6)]-BETA-GLUCOPYRANOSIDE-HEPTAACETATE")
| SpectraBase Compound ID | 4aPGn6nxzkn |
|---|---|
| InChI | InChI=1S/C42H46O21/c1-18-33(55-19(2)43)37(58-22(5)46)39(60-24(7)48)41(54-18)53-17-31-36(57-21(4)45)38(59-23(6)47)40(61-25(8)49)42(63-31)62-30-15-14-28-32(50)29(26-10-12-27(51-9)13-11-26)16-52-34(28)35(30)56-20(3)44/h10-16,18,31,33,36-42H,17H2,1-9H3/t18-,31-,33-,36-,37+,38+,39+,40-,41+,42-/m0/s1 |
| InChIKey | CBTFQXVODNWLNV-UOIZFOODSA-N |
| Mol Weight | 886.8 g/mol |
| Molecular Formula | C42H46O21 |
| Exact Mass | 886.253158 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 21RBHR4cc76 |
|---|---|
| Name | DERRISCANDENOSIDE-B-HEPTAACETATE;7,8-DIHYDROXY-4'-METHOXYISOFLAVONE-7-O-[ALPHA-RHAMNOPYRANOSYL-(1->6)]-BETA-GLUCOPYRANOSIDE-HEPTAACETATE |
| Compound Number | 2-HEPTAACETA |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H46O21 |
| InChI | InChI=1S/C42H46O21/c1-18-33(55-19(2)43)37(58-22(5)46)39(60-24(7)48)41(54-18)53-17-31-36(57-21(4)45)38(59-23(6)47)40(61-25(8)49)42(63-31)62-30-15-14-28-32(50)29(26-10-12-27(51-9)13-11-26)16-52-34(28)35(30)56-20(3)44/h10-16,18,31,33,36-42H,17H2,1-9H3/t18-,31-,33-,36-,37+,38+,39+,40-,41+,42-/m0/s1 |
| InChIKey | CBTFQXVODNWLNV-UOIZFOODSA-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 | 886.815 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMS1844 |