| SpectraBase Compound ID | A158zVgWlvM |
|---|---|
| InChI | InChI=1S/C59H94O28/c1-22-32(63)39(70)45(85-50-43(74)44(33(64)23(2)80-50)84-48-40(71)34(65)27(62)20-78-48)51(81-22)87-53(77)59-15-13-54(3,4)17-25(59)24-9-10-30-55(5)18-26(61)46(58(8,52(75)76)31(55)11-12-57(30,7)56(24,6)14-16-59)86-49-42(73)38(69)36(67)29(83-49)21-79-47-41(72)37(68)35(66)28(19-60)82-47/h9,22-23,25-51,60-74H,10-21H2,1-8H3,(H,75,76)/t22-,23+,25+,26+,27+,28-,29-,30-,31-,32+,33+,34+,35-,36-,37+,38+,39+,40-,41-,42-,43-,44-,45-,46+,47-,48+,49+,50+,51+,55-,56-,57-,58+,59+/m1/s1 |
| InChIKey | MIVWPRPIALLODW-ZIUXYJAKSA-N |
| Mol Weight | 1251.4 g/mol |
| Molecular Formula | C59H94O28 |
| Exact Mass | 1250.593162 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7MMd4hnmc7n |
|---|---|
| Name | ASTERBATANOSIDE_J;3-O-BETA-D-GLUCOPYRANOSYL-(1->6)-BETA-D-GLUCOPYRANOSYL-2-BETA,3-BETA-DIHYDROXY-OLEAN-12-EN-23-ALPHA,28-DIOIC_ACID-28-O-ALPHA-L-AR |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C59H94O28 |
| InChI | InChI=1S/C59H94O28/c1-22-32(63)39(70)45(85-50-43(74)44(33(64)23(2)80-50)84-48-40(71)34(65)27(62)20-78-48)51(81-22)87-53(77)59-15-13-54(3,4)17-25(59)24-9-10-30-55(5)18-26(61)46(58(8,52(75)76)31(55)11-12-57(30,7)56(24,6)14-16-59)86-49-42(73)38(69)36(67)29(83-49)21-79-47-41(72)37(68)35(66)28(19-60)82-47/h9,22-23,25-51,60-74H,10-21H2,1-8H3,(H,75,76)/t22-,23+,25+,26+,27+,28-,29-,30-,31-,32+,33+,34+,35-,36-,37+,38+,39+,40-,41-,42-,43-,44-,45-,46+,47-,48+,49+,50+,51+,55-,56-,57-,58+,59+/m1/s1 |
| InChIKey | MIVWPRPIALLODW-ZIUXYJAKSA-N |
| Literature Reference Author | Y.SHAO,B.ZHOU,K.MA,H.WU,L.LIN,G.A.CORDELL |
| Literature Reference Citation | PHYTOCHEM.,39,875(1995) |
| Literature Reference DOI | 10.1016/0031-9422(95)00016-Z |
| Molecular Weight | 1251.379 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMZ9069 |