| SpectraBase Compound ID | 3ON2LMOATqG |
|---|---|
| InChI | InChI=1S/C50H72O17/c1-26(51)59-24-36-39(62-29(4)54)40(63-30(5)55)41(64-31(6)56)43(66-36)67-44(58)50-20-18-45(8,9)22-34(50)33-14-15-38-46(10)23-35(61-28(3)53)42(65-32(7)57)47(11,25-60-27(2)52)37(46)16-17-49(38,13)48(33,12)19-21-50/h14,34-43H,15-25H2,1-13H3/t34-,35-,36+,37+,38+,39+,40-,41+,42-,43-,46-,47-,48+,49+,50-/m0/s1 |
| InChIKey | LJJYKJPISWLIJH-CIJXAWLVSA-N |
| Mol Weight | 945.1 g/mol |
| Molecular Formula | C50H72O17 |
| Exact Mass | 944.476951 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KOnnpnBmrrU |
|---|---|
| Name | 2-BETA,3-BETA,23-TRIACETOXY-OLEAN-12-EN-28-OIC-ACID-BETA-D-(2,3,4,6-TETRAACETYL)-GLUCOPYRANOSYLESTER |
| Compound Number | 3C |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C50H72O17 |
| InChI | InChI=1S/C50H72O17/c1-26(51)59-24-36-39(62-29(4)54)40(63-30(5)55)41(64-31(6)56)43(66-36)67-44(58)50-20-18-45(8,9)22-34(50)33-14-15-38-46(10)23-35(61-28(3)53)42(65-32(7)57)47(11,25-60-27(2)52)37(46)16-17-49(38,13)48(33,12)19-21-50/h14,34-43H,15-25H2,1-13H3/t34-,35-,36+,37+,38+,39+,40-,41+,42-,43-,46-,47-,48+,49+,50-/m0/s1 |
| InChIKey | LJJYKJPISWLIJH-CIJXAWLVSA-N |
| Literature Reference Author | L.JAYASINGHE,G.P.WANNIGAMA,J.K.MACLEOD |
| Literature Reference Citation | PHYTOCHEM.,34,1111(1993) |
| Literature Reference DOI | 10.1016/S0031-9422(00)90726-X |
| Molecular Weight | 945.111 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWVN6925 |