| SpectraBase Compound ID | 9q7r6amJw7y |
|---|---|
| InChI | InChI=1S/C42H58O23/c1-19(2)12-42(65-40-37(55)34(52)31(49)27(64-40)18-57-20(3)45,41(56)59-17-22-6-10-24(11-7-22)61-39-36(54)33(51)30(48)26(15-44)63-39)13-28(46)58-16-21-4-8-23(9-5-21)60-38-35(53)32(50)29(47)25(14-43)62-38/h4-11,19,25-27,29-40,43-44,47-55H,12-18H2,1-3H3/t25-,26+,27-,29-,30+,31-,32+,33-,34+,35-,36+,37-,38-,39+,40+,42-/m1/s1 |
| InChIKey | MHVQDAOKYCPBQU-RBOXZYEKSA-N |
| Mol Weight | 930.9 g/mol |
| Molecular Formula | C42H58O23 |
| Exact Mass | 930.336888 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HsZDZ5qEQot |
|---|---|
| Name | GYMNOSIDE_III |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H58O23 |
| InChI | InChI=1S/C42H58O23/c1-19(2)12-42(65-40-37(55)34(52)31(49)27(64-40)18-57-20(3)45,41(56)59-17-22-6-10-24(11-7-22)61-39-36(54)33(51)30(48)26(15-44)63-39)13-28(46)58-16-21-4-8-23(9-5-21)60-38-35(53)32(50)29(47)25(14-43)62-38/h4-11,19,25-27,29-40,43-44,47-55H,12-18H2,1-3H3/t25-,26+,27-,29-,30+,31-,32+,33-,34+,35-,36+,37-,38-,39+,40+,42-/m1/s1 |
| InChIKey | MHVQDAOKYCPBQU-RBOXZYEKSA-N |
| Literature Reference Author | T.MORIKAWA,H.XIE,H.MATSUDA,M.YOSHIKAWA |
| Literature Reference Citation | J.NAT.PROD.,69,881(2006) |
| Literature Reference DOI | 10.1021/np0581115 |
| Molecular Weight | 930.909 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMZ18522 |