| SpectraBase Compound ID | DTvcSoAj4Js |
|---|---|
| InChI | InChI=1S/C36H44O22S2/c1-59-35(47)51-7-11-3-15(39)21-13(9-49-31(19(11)21)57-33-26(43)25(42)23(40)17(5-37)54-33)30(46)56-28-24(41)18(6-38)55-34(27(28)44)58-32-20-12(8-52-36(48)60-2)4-16-22(20)14(10-50-32)29(45)53-16/h3-4,9-10,15-28,31-34,37-44H,5-8H2,1-2H3/t15-,16-,17-,18+,19?,20?,21?,22?,23-,24+,25+,26-,27+,28-,31-,32-,33+,34-/m0/s1 |
| InChIKey | PYQHCLXXOHHIDC-IBHPAJKSSA-N |
| Mol Weight | 892.8 g/mol |
| Molecular Formula | C36H44O22S2 |
| Exact Mass | 892.176565 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | B74TzX3G9yl |
|---|---|
| Name | SAPROSMOSIDE-D |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H44O22S2 |
| InChI | InChI=1S/C36H44O22S2/c1-59-35(47)51-7-11-3-15(39)21-13(9-49-31(19(11)21)57-33-26(43)25(42)23(40)17(5-37)54-33)30(46)56-28-24(41)18(6-38)55-34(27(28)44)58-32-20-12(8-52-36(48)60-2)4-16-22(20)14(10-50-32)29(45)53-16/h3-4,9-10,15-28,31-34,37-44H,5-8H2,1-2H3/t15-,16-,17-,18+,19?,20?,21?,22?,23-,24+,25+,26-,27+,28-,31-,32-,33+,34-/m0/s1 |
| InChIKey | PYQHCLXXOHHIDC-IBHPAJKSSA-N |
| Literature Reference Author | S.K.LING,A.KOMORITA,T.TANAKA,T.FUJIOKA,K.MIHASHI,I.KOUNO |
| Literature Reference Citation | J.NAT.PROD.,65,656(2002) |
| Literature Reference DOI | 10.1021/np010479o |
| Molecular Weight | 892.852 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWSI4148 |