| SpectraBase Compound ID | 71OGSzYCdr6 |
|---|---|
| InChI | InChI=1S/C42H70O15/c1-36(2)24(55-35-31(29(50)27(48)22(17-44)54-35)56-34-30(51)28(49)26(47)21(16-43)53-34)9-11-42-18-41(42)13-12-38(5)33(40(7)10-8-25(57-40)37(3,4)52)20(46)15-39(38,6)23(41)14-19(45)32(36)42/h19-35,43-52H,8-18H2,1-7H3/t19-,20-,21+,22+,23?,24-,25+,26+,27+,28-,29-,30+,31+,32?,33-,34-,35-,38+,39-,40-,41-,42+/m0/s1 |
| InChIKey | KLYDGXHNRCVADD-IKOREQJGSA-N |
| Mol Weight | 815.0 g/mol |
| Molecular Formula | C42H70O15 |
| Exact Mass | 814.471472 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5F4qKDK4TAX |
|---|---|
| Name | SIEBEROSIDE-II;CYCLOGALAGENIN-3-O-BETA-D-GLUCOPYRANOSYL-(1->2)-BETA-D-GLUCOPYRANOSIDE;20(S),24(R)-EPOXY-9-BETA,19-CYCLOLANOSTAN-3-BETA,6-ALPHA,16-B |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H70O15 |
| InChI | InChI=1S/C42H70O15/c1-36(2)24(55-35-31(29(50)27(48)22(17-44)54-35)56-34-30(51)28(49)26(47)21(16-43)53-34)9-11-42-18-41(42)13-12-38(5)33(40(7)10-8-25(57-40)37(3,4)52)20(46)15-39(38,6)23(41)14-19(45)32(36)42/h19-35,43-52H,8-18H2,1-7H3/t19-,20-,21+,22+,23?,24-,25+,26+,27+,28-,29-,30+,31+,32?,33-,34-,35-,38+,39-,40-,41-,42+/m0/s1 |
| InChIKey | KLYDGXHNRCVADD-IKOREQJGSA-N |
| Literature Reference Author | L.VEROTTA,M.TATO,N.A.EL-SEBAKHY,S.M.TOAIMA |
| Literature Reference Citation | PHYTOCHEM.,48,1403(1998) |
| Literature Reference DOI | 10.1016/S0031-9422(98)00042-9 |
| Molecular Weight | 815.009 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMS1506 |