| SpectraBase Compound ID | IeAgNKZDPI4 |
|---|---|
| InChI | InChI=1S/C42H66O16/c1-37(2)11-13-42(36(53)54)14-12-39(4)19(20(42)15-37)7-8-24-38(3)16-21(44)32(41(6,35(51)52)25(38)9-10-40(24,39)5)58-34-31(50)29(48)27(46)23(57-34)18-55-33-30(49)28(47)26(45)22(17-43)56-33/h7,20-34,43-50H,8-18H2,1-6H3,(H,51,52)(H,53,54)/t20-,21-,22+,23+,24+,25+,26+,27+,28-,29-,30+,31+,32-,33+,34-,38+,39+,40+,41-,42-/m0/s1 |
| InChIKey | AFFNUXDFGIUNAF-ZDPKYLDMSA-N |
| Mol Weight | 827.0 g/mol |
| Molecular Formula | C42H66O16 |
| Exact Mass | 826.435086 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LjVZ7JQXdh3 |
|---|---|
| Name | 3-O-BETA-D-GLUCOPYRANOSYL-(1->6)-BETA-D-GLUCOPYRANOSYL-2-BETA,3-BETA-DIHYDROXY-OLEAN-12-EN-23-ALPHA,28-DIOIC_ACID |
| Compound Number | 1B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H66O16 |
| InChI | InChI=1S/C42H66O16/c1-37(2)11-13-42(36(53)54)14-12-39(4)19(20(42)15-37)7-8-24-38(3)16-21(44)32(41(6,35(51)52)25(38)9-10-40(24,39)5)58-34-31(50)29(48)27(46)23(57-34)18-55-33-30(49)28(47)26(45)22(17-43)56-33/h7,20-34,43-50H,8-18H2,1-6H3,(H,51,52)(H,53,54)/t20-,21-,22+,23+,24+,25+,26+,27+,28-,29-,30+,31+,32-,33+,34-,38+,39+,40+,41-,42-/m0/s1 |
| InChIKey | AFFNUXDFGIUNAF-ZDPKYLDMSA-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 | 826.976 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMZ9072 |