![#6;(25S,22)-HYDROXYLWATTINOSIDE-C;(25S)-[(3-O-BETA-D-GLUCOPYRANOSYL-(1->4)-BETA-D-GALACTOPYRANOSYL)-OXY]-26-[(BETA-D-GLUCOPYRANOSYL)-OXY]-1-BETA,3-BETA,22-XI,2](/api/spectrum/2QXQpfEjwzE/structure.png?h=300&w=458 "#6;(25S,22)-HYDROXYLWATTINOSIDE-C;(25S)-[(3-O-BETA-D-GLUCOPYRANOSYL-(1->4)-BETA-D-GALACTOPYRANOSYL)-OXY]-26-[(BETA-D-GLUCOPYRANOSYL)-OXY]-1-BETA,3-BETA,22-XI,2")
| SpectraBase Compound ID | INhTdhdYFhi |
|---|---|
| InChI | InChI=1S/C45H74O20/c1-18(17-59-40-36(55)33(52)31(50)26(14-46)61-40)7-10-45(58)19(2)30-25(65-45)13-24-22-6-5-20-11-21(12-29(49)44(20,4)23(22)8-9-43(24,30)3)60-41-38(57)35(54)39(28(16-48)63-41)64-42-37(56)34(53)32(51)27(15-47)62-42/h5,18-19,21-42,46-58H,6-17H2,1-4H3/t18-,19-,21+,22+,23-,24-,25-,26-,27-,28+,29+,30-,31-,32-,33+,34+,35+,36-,37-,38+,39-,40-,41+,42+,43-,44-,45?/m0/s1 |
| InChIKey | ITELQBHECKPJMK-RLJLOQJZSA-N |
| Mol Weight | 935.1 g/mol |
| Molecular Formula | C45H74O20 |
| Exact Mass | 934.477345 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2QXQpfEjwzE |
|---|---|
| Name | #6;(25S,22)-HYDROXYLWATTINOSIDE-C;(25S)-[(3-O-BETA-D-GLUCOPYRANOSYL-(1->4)-BETA-D-GALACTOPYRANOSYL)-OXY]-26-[(BETA-D-GLUCOPYRANOSYL)-OXY]-1-BETA,3-BETA,22-XI,2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C45H74O20 |
| InChI | InChI=1S/C45H74O20/c1-18(17-59-40-36(55)33(52)31(50)26(14-46)61-40)7-10-45(58)19(2)30-25(65-45)13-24-22-6-5-20-11-21(12-29(49)44(20,4)23(22)8-9-43(24,30)3)60-41-38(57)35(54)39(28(16-48)63-41)64-42-37(56)34(53)32(51)27(15-47)62-42/h5,18-19,21-42,46-58H,6-17H2,1-4H3/t18-,19-,21+,22+,23-,24-,25-,26-,27-,28+,29+,30-,31-,32-,33+,34+,35+,36-,37-,38+,39-,40-,41+,42+,43-,44-,45?/m0/s1 |
| InChIKey | ITELQBHECKPJMK-RLJLOQJZSA-N |
| Literature Reference Author | J.ZHANG,B.P.MA,L.P.KANG,H.S.YU,Y.YANG,X.Z.YAN,F.T.DONG |
| Literature Reference Citation | CHEM.PHARM.BULL.,54,931(2006) |
| Literature Reference DOI | 10.1248/cpb.54.931 |
| Molecular Weight | 935.071 g/mol |
| Sample ID | 37169 |
| Solvent | C5D5N |