![DIGITOXIGENIN-3-O-[O-BETA-GLUCOPYRANOSYL-(1->6)-O-BETA-GLUCOPYRANOSYL-(1->4)-O-BETA-DIGITALOPYRANOSYL-(1->4)-BETA-CYMAROPYRANOSIDE]](/api/spectrum/DHNX8ycOmFg/structure.png?h=300&w=458 "DIGITOXIGENIN-3-O-[O-BETA-GLUCOPYRANOSYL-(1->6)-O-BETA-GLUCOPYRANOSYL-(1->4)-O-BETA-DIGITALOPYRANOSYL-(1->4)-BETA-CYMAROPYRANOSIDE]")
| SpectraBase Compound ID | 6zVcwQyjH8P |
|---|---|
| InChI | InChI=1S/C49H78O21/c1-21-34(52)29(60-5)17-33(64-21)69-41-22(2)65-46(40(58)43(41)61-6)70-42-30(18-50)67-44(39(57)37(42)55)63-20-31-35(53)36(54)38(56)45(68-31)66-25-9-12-47(3)24(16-25)7-8-28-27(47)10-13-48(4)26(11-14-49(28,48)59)23-15-32(51)62-19-23/h15,21-22,24-31,33-46,50,52-59H,7-14,16-20H2,1-6H3/t21-,22+,24-,25+,26-,27+,28-,29+,30-,31-,33+,34-,35-,36+,37-,38-,39-,40+,41-,42-,43+,44-,45-,46-,47+,48-,49+/m1/s1 |
| InChIKey | RRKJPNIAAPGNAN-LMPXJGTKSA-N |
| Mol Weight | 1003.1 g/mol |
| Molecular Formula | C49H78O21 |
| Exact Mass | 1002.50356 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DHNX8ycOmFg |
|---|---|
| Name | DIGITOXIGENIN-3-O-[O-BETA-GLUCOPYRANOSYL-(1->6)-O-BETA-GLUCOPYRANOSYL-(1->4)-O-BETA-DIGITALOPYRANOSYL-(1->4)-BETA-CYMAROPYRANOSIDE] |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C49H78O21 |
| InChI | InChI=1S/C49H78O21/c1-21-34(52)29(60-5)17-33(64-21)69-41-22(2)65-46(40(58)43(41)61-6)70-42-30(18-50)67-44(39(57)37(42)55)63-20-31-35(53)36(54)38(56)45(68-31)66-25-9-12-47(3)24(16-25)7-8-28-27(47)10-13-48(4)26(11-14-49(28,48)59)23-15-32(51)62-19-23/h15,21-22,24-31,33-46,50,52-59H,7-14,16-20H2,1-6H3/t21-,22+,24-,25+,26-,27+,28-,29+,30-,31-,33+,34-,35-,36+,37-,38-,39-,40+,41-,42-,43+,44-,45-,46-,47+,48-,49+/m1/s1 |
| InChIKey | RRKJPNIAAPGNAN-LMPXJGTKSA-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 | 1003.146 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWKP3221 |