| SpectraBase Compound ID | FezvqSbHQQs |
|---|---|
| InChI | InChI=1S/C35H54O12/c1-17-31(47-32-30(41)29(40)28(39)25(15-36)46-32)24(37)14-27(44-17)45-20-6-9-33(2)19(13-20)4-5-23-22(33)7-10-34(3)21(8-11-35(23,34)42)18-12-26(38)43-16-18/h12,17,19-25,27-32,36-37,39-42H,4-11,13-16H2,1-3H3/t17-,19+,20-,21+,22?,23?,24+,25-,27+,28-,29+,30-,31-,32+,33-,34+,35-/m0/s1 |
| InChIKey | BKLVUVLBSZAKIF-WVCDNVMMSA-N |
| Mol Weight | 666.8 g/mol |
| Molecular Formula | C35H54O12 |
| Exact Mass | 666.361527 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GIxU6XR86Jm |
|---|---|
| Name | GLUCOEVATROMONOSIDE;DIGITOXIGENIN-3-O-BETA-D-GLUCOPYRANOSYL-(1->4)-O-BETA-D-DIGITOXOPYRANOSIDE |
| Compound Number | 9 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C35H54O12 |
| InChI | InChI=1S/C35H54O12/c1-17-31(47-32-30(41)29(40)28(39)25(15-36)46-32)24(37)14-27(44-17)45-20-6-9-33(2)19(13-20)4-5-23-22(33)7-10-34(3)21(8-11-35(23,34)42)18-12-26(38)43-16-18/h12,17,19-25,27-32,36-37,39-42H,4-11,13-16H2,1-3H3/t17-,19+,20-,21+,22?,23?,24+,25-,27+,28-,29+,30-,31-,32+,33-,34+,35-/m0/s1 |
| InChIKey | BKLVUVLBSZAKIF-WVCDNVMMSA-N |
| Literature Reference Author | T.NAKAMURA,Y.GODA,S.SAKAI,K.KONDO,H.AKIYAMA,M.TOYODA |
| Literature Reference Citation | PHYTOCHEM.,49,2097(1998) |
| Literature Reference DOI | 10.1016/S0031-9422(98)00421-X |
| Molecular Weight | 666.807 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWLU892 |