| SpectraBase Compound ID | Lt6tFHk0UVY |
|---|---|
| InChI | InChI=1S/C35H54O14/c1-33-8-5-18(47-32-30(43)28(41)26(39)23(49-32)15-46-31-29(42)27(40)25(38)22(13-36)48-31)12-17(33)3-4-21-20(33)6-9-34(2)19(7-10-35(21,34)44)16-11-24(37)45-14-16/h11,17-23,25-32,36,38-44H,3-10,12-15H2,1-2H3/t17-,18+,19-,20+,21-,22-,23-,25-,26-,27+,28+,29-,30-,31-,32-,33+,34-,35+/m1/s1 |
| InChIKey | COIUWGNHAYDCDZ-NCZJMCBLSA-N |
| Mol Weight | 698.8 g/mol |
| Molecular Formula | C35H54O14 |
| Exact Mass | 698.351356 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HSUT1eSMAeA |
|---|---|
| Name | DIGITOXIGENIN-3-O-BETA-GENTIOBIOSIDE |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C35H54O14 |
| InChI | InChI=1S/C35H54O14/c1-33-8-5-18(47-32-30(43)28(41)26(39)23(49-32)15-46-31-29(42)27(40)25(38)22(13-36)48-31)12-17(33)3-4-21-20(33)6-9-34(2)19(7-10-35(21,34)44)16-11-24(37)45-14-16/h11,17-23,25-32,36,38-44H,3-10,12-15H2,1-2H3/t17-,18+,19-,20+,21-,22-,23-,25-,26-,27+,28+,29-,30-,31-,32-,33+,34-,35+/m1/s1 |
| InChIKey | COIUWGNHAYDCDZ-NCZJMCBLSA-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 | 698.805 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWKP3219 |