![DIGITOXIGENIN-3-O-[O-BETA-GLUCOPYRANOSYL-(1->6)-O-BETA-GLUCOPYRANOSYL-(1->4)-3-O-ACETYL-BETA-DIGITOXOPYRANOSIDE]](/api/spectrum/I32aOUBehH4/structure.png?h=300&w=458 "DIGITOXIGENIN-3-O-[O-BETA-GLUCOPYRANOSYL-(1->6)-O-BETA-GLUCOPYRANOSYL-(1->4)-3-O-ACETYL-BETA-DIGITOXOPYRANOSIDE]")
| SpectraBase Compound ID | 4DX4Yc14fz7 |
|---|---|
| InChI | InChI=1S/C43H66O18/c1-19-32(47)27(57-20(2)45)15-31(56-19)61-38-28(16-44)59-39(37(52)35(38)50)55-18-29-33(48)34(49)36(51)40(60-29)58-23-7-10-41(3)22(14-23)5-6-26-25(41)8-11-42(4)24(9-12-43(26,42)53)21-13-30(46)54-17-21/h13,19,22-29,31-40,44,47-53H,5-12,14-18H2,1-4H3/t19-,22+,23-,24+,25-,26+,27+,28+,29+,31+,32-,33+,34-,35+,36+,37+,38+,39+,40+,41-,42+,43-/m0/s1 |
| InChIKey | SLLGYAUSKOCNPK-QJSGMDDJSA-N |
| Mol Weight | 871.0 g/mol |
| Molecular Formula | C43H66O18 |
| Exact Mass | 870.424915 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | I32aOUBehH4 |
|---|---|
| Name | DIGITOXIGENIN-3-O-[O-BETA-GLUCOPYRANOSYL-(1->6)-O-BETA-GLUCOPYRANOSYL-(1->4)-3-O-ACETYL-BETA-DIGITOXOPYRANOSIDE] |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C43H66O18 |
| InChI | InChI=1S/C43H66O18/c1-19-32(47)27(57-20(2)45)15-31(56-19)61-38-28(16-44)59-39(37(52)35(38)50)55-18-29-33(48)34(49)36(51)40(60-29)58-23-7-10-41(3)22(14-23)5-6-26-25(41)8-11-42(4)24(9-12-43(26,42)53)21-13-30(46)54-17-21/h13,19,22-29,31-40,44,47-53H,5-12,14-18H2,1-4H3/t19-,22+,23-,24+,25-,26+,27+,28+,29+,31+,32-,33+,34-,35+,36+,37+,38+,39+,40+,41-,42+,43-/m0/s1 |
| InChIKey | SLLGYAUSKOCNPK-QJSGMDDJSA-N |
| Literature Reference Author | J.Y.UEDA,Y.TEZUKA,A.H.BANSKOTA,Q.L.TRAN,Q.K.TRAN,I.SAIKI,S.K ADOTA |
| Literature Reference Citation | J.NAT.PROD.,66,1427(2003) |
| Literature Reference DOI | 10.1021/np030177h |
| Molecular Weight | 870.986 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWKP3220 |