| SpectraBase Compound ID | CkAYxYBn4lt |
|---|---|
| InChI | InChI=1S/C42H68O15/c1-37(2)13-15-42(36(53)57-35-32(51)30(49)28(47)22(18-44)55-35)16-14-40(5)20(26(42)33(37)52)7-8-24-38(3)11-10-25(39(4,19-45)23(38)9-12-41(24,40)6)56-34-31(50)29(48)27(46)21(17-43)54-34/h7,21-35,43-52H,8-19H2,1-6H3/t21-,22-,23?,24?,25+,26?,27-,28-,29+,30+,31-,32-,33+,34+,35+,38+,39+,40-,41-,42+/m1/s1 |
| InChIKey | SIRZWEUDBHEGCL-JTIMJPAPSA-N |
| Mol Weight | 813.0 g/mol |
| Molecular Formula | C42H68O15 |
| Exact Mass | 812.455821 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | I53yJMtS5Zt |
|---|---|
| Name | RANDIASAPONIN-VII;3-O-BETA-D-GLUCOPYRANOSYL-ILEXOSAPOGENIN-A-28-BETA-D-GLUCOPYRANOSYLESTER |
| Compound Number | 7 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H68O15 |
| InChI | InChI=1S/C42H68O15/c1-37(2)13-15-42(36(53)57-35-32(51)30(49)28(47)22(18-44)55-35)16-14-40(5)20(26(42)33(37)52)7-8-24-38(3)11-10-25(39(4,19-45)23(38)9-12-41(24,40)6)56-34-31(50)29(48)27(46)21(17-43)54-34/h7,21-35,43-52H,8-19H2,1-6H3/t21-,22-,23?,24?,25+,26?,27-,28-,29+,30+,31-,32-,33+,34+,35+,38+,39+,40-,41-,42+/m1/s1 |
| InChIKey | SIRZWEUDBHEGCL-JTIMJPAPSA-N |
| Literature Reference Author | S.SAHPAZ,M.P.GUPTA,K.HOSTETTMANN |
| Literature Reference Citation | PHYTOCHEM.,54,77(2000) |
| Literature Reference DOI | 10.1016/S0031-9422(00)00034-0 |
| Molecular Weight | 812.993 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWLU1227 |