| SpectraBase Compound ID | 1tS6IBoqgPn |
|---|---|
| InChI | InChI=1S/C53H86O23/c1-21-29(57)32(60)37(65)45(70-21)74-39-33(61)31(59)25(18-54)71-46(39)75-40-35(63)34(62)38(43(67)68)73-47(40)72-28-12-13-50(5)26(51(28,6)20-55)11-14-53(8)27(50)10-9-22-23-17-48(2,3)42(41(66)49(23,4)15-16-52(22,53)7)76-44-36(64)30(58)24(56)19-69-44/h9,21,23-42,44-47,54-66H,10-20H2,1-8H3,(H,67,68)/t21-,23-,24-,25+,26+,27+,28-,29-,30-,31+,32+,33-,34-,35-,36+,37+,38-,39+,40+,41+,42+,44-,45-,46-,47+,49+,50-,51+,52+,53+/m0/s1 |
| InChIKey | SMXKPPHSZHNBEF-UNSHAUCNSA-N |
| Mol Weight | 1091.2 g/mol |
| Molecular Formula | C53H86O23 |
| Exact Mass | 1090.555989 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 13oKy1Om6AQ |
|---|---|
| Name | #11;3-BETA,21-ALPHA,22-BETA,24-TETRAHYDROXY-OLEAN-12-EN-3-O-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-BETA-D-GALACTOPPYRANOSYL-(1->2)-BETA-D-GLUCOPYRANOSYL-21-O-ALPHA-L-R |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C53H86O23 |
| InChI | InChI=1S/C53H86O23/c1-21-29(57)32(60)37(65)45(70-21)74-39-33(61)31(59)25(18-54)71-46(39)75-40-35(63)34(62)38(43(67)68)73-47(40)72-28-12-13-50(5)26(51(28,6)20-55)11-14-53(8)27(50)10-9-22-23-17-48(2,3)42(41(66)49(23,4)15-16-52(22,53)7)76-44-36(64)30(58)24(56)19-69-44/h9,21,23-42,44-47,54-66H,10-20H2,1-8H3,(H,67,68)/t21-,23-,24-,25+,26+,27+,28-,29-,30-,31+,32+,33-,34-,35-,36+,37+,38-,39+,40+,41+,42+,44-,45-,46-,47+,49+,50-,51+,52+,53+/m0/s1 |
| InChIKey | SMXKPPHSZHNBEF-UNSHAUCNSA-N |
| Literature Reference Author | G.M.WOLDEMICHAEL,G.MONTENEGRO,B.N.TIMMERMANN |
| Literature Reference Citation | PHYTOCHEM.,63,853(2003) |
| Literature Reference DOI | 10.1016/S0031-9422(03)00328-5 |
| Molecular Weight | 1091.252 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMS28396 |