| SpectraBase Compound ID | Ll1WJgJR5ks |
|---|---|
| InChI | InChI=1S/C46H74O16/c1-41(2)14-16-46(40(55)56)17-15-44(6)22(23(46)18-41)8-9-28-43(5)12-11-29(42(3,4)27(43)10-13-45(28,44)7)61-38-35(54)33(52)32(51)26(60-38)21-59-39-36(31(50)25(48)20-58-39)62-37-34(53)30(49)24(47)19-57-37/h8,23-39,47-54H,9-21H2,1-7H3,(H,55,56)/t23?,24-,25+,26-,27?,28?,29+,30+,31+,32-,33+,34-,35-,36-,37+,38+,39+,43+,44-,45-,46+/m1/s1 |
| InChIKey | WBBKABSSSHJZGN-UOXKIKEJSA-N |
| Mol Weight | 883.1 g/mol |
| Molecular Formula | C46H74O16 |
| Exact Mass | 882.497686 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FNukBoyvxqS |
|---|---|
| Name | PITHEDULOSIDE-C;OLEANOLIC-ACID-3-O-ALPHA-L-ARABINOPYRANOSYL-(1->2)-BETA-D-XYLOPYRANOSYL-(1->6)-BETA-D-GLUCOPYRANOSIDE |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C46H74O16 |
| InChI | InChI=1S/C46H74O16/c1-41(2)14-16-46(40(55)56)17-15-44(6)22(23(46)18-41)8-9-28-43(5)12-11-29(42(3,4)27(43)10-13-45(28,44)7)61-38-35(54)33(52)32(51)26(60-38)21-59-39-36(31(50)25(48)20-58-39)62-37-34(53)30(49)24(47)19-57-37/h8,23-39,47-54H,9-21H2,1-7H3,(H,55,56)/t23?,24-,25+,26-,27?,28?,29+,30+,31+,32-,33+,34-,35-,36-,37+,38+,39+,43+,44-,45-,46+/m1/s1 |
| InChIKey | WBBKABSSSHJZGN-UOXKIKEJSA-N |
| Literature Reference Author | S.K.NIGAM,M.GOPAL,R.UDDIN,K.YOSHIKAWA,M.KAWAMOTO,S.ARIHARA |
| Literature Reference Citation | PHYTOCHEM.,44,1329(1997) |
| Literature Reference DOI | 10.1016/S0031-9422(96)00725-X |
| Molecular Weight | 883.084 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWAN7 |