![#7;KINGIANOSIDE-E;(25R)-[(3-O-BETA-D-GLUCOPYRANOSYL-(1->2)-O-BETA-D-GLUCOPYRANOSYL-(1->4)-BETA-D-GALACTOPYRANOSYL)-OXY]-26-[(BETA-D-GLUCOPYRANOSYL)-OXY]-22-XI-](/api/spectrum/2ZBYBpVvphM/structure.png?h=300&w=458 "#7;KINGIANOSIDE-E;(25R)-[(3-O-BETA-D-GLUCOPYRANOSYL-(1->2)-O-BETA-D-GLUCOPYRANOSYL-(1->4)-BETA-D-GALACTOPYRANOSYL)-OXY]-26-[(BETA-D-GLUCOPYRANOSYL)-OXY]-22-XI-")
| SpectraBase Compound ID | CyjwZCJ2SfX |
|---|---|
| InChI | InChI=1S/C51H82O25/c1-19(18-68-45-40(64)36(60)33(57)27(14-52)70-45)7-10-51(67)20(2)32-26(76-51)12-25-23-6-5-21-11-22(8-9-49(21,3)24(23)13-31(56)50(25,32)4)69-46-42(66)39(63)43(30(17-55)73-46)74-48-44(38(62)35(59)29(16-54)72-48)75-47-41(65)37(61)34(58)28(15-53)71-47/h5,19-20,22-30,32-48,52-55,57-67H,6-18H2,1-4H3/t19-,20+,22+,23-,24+,25+,26+,27+,28+,29+,30-,32+,33+,34+,35+,36-,37-,38-,39-,40+,41+,42-,43+,44+,45+,46-,47-,48-,49+,50-,51?/m1/s1 |
| InChIKey | UOYJKVXIKOXLKU-AZEIMLEKSA-N |
| Mol Weight | 1095.2 g/mol |
| Molecular Formula | C51H82O25 |
| Exact Mass | 1094.514518 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2ZBYBpVvphM |
|---|---|
| Name | #7;KINGIANOSIDE-E;(25R)-[(3-O-BETA-D-GLUCOPYRANOSYL-(1->2)-O-BETA-D-GLUCOPYRANOSYL-(1->4)-BETA-D-GALACTOPYRANOSYL)-OXY]-26-[(BETA-D-GLUCOPYRANOSYL)-OXY]-22-XI- |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C51H82O25 |
| InChI | InChI=1S/C51H82O25/c1-19(18-68-45-40(64)36(60)33(57)27(14-52)70-45)7-10-51(67)20(2)32-26(76-51)12-25-23-6-5-21-11-22(8-9-49(21,3)24(23)13-31(56)50(25,32)4)69-46-42(66)39(63)43(30(17-55)73-46)74-48-44(38(62)35(59)29(16-54)72-48)75-47-41(65)37(61)34(58)28(15-53)71-47/h5,19-20,22-30,32-48,52-55,57-67H,6-18H2,1-4H3/t19-,20+,22+,23-,24+,25+,26+,27+,28+,29+,30-,32+,33+,34+,35+,36-,37-,38-,39-,40+,41+,42-,43+,44+,45+,46-,47-,48-,49+,50-,51?/m1/s1 |
| InChIKey | UOYJKVXIKOXLKU-AZEIMLEKSA-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 | 1095.197 g/mol |
| Sample ID | 37170 |
| Solvent | C5D5N |