| SpectraBase Compound ID | 5iE0LO7mFSE |
|---|---|
| InChI | InChI=1S/C29H36O17S/c1-12(30)38-11-20-23(42-14(3)32)24(43-15(4)33)25(44-16(5)34)28(45-20)46-27-21-17(9-40-29(36)47-7)8-19(41-13(2)31)22(21)18(10-39-27)26(35)37-6/h8,10,19-25,27-28H,9,11H2,1-7H3/t19?,20-,21+,22-,23-,24+,25-,27-,28+/m0/s1 |
| InChIKey | MQGAPHOCRLOYAV-BLPPSNCSSA-N |
| Mol Weight | 688.6 g/mol |
| Molecular Formula | C29H36O17S |
| Exact Mass | 688.167321 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | J6tFVKDmGFv |
|---|---|
| Name | PAEDEROSIDIC-ACID-METHYLESTER-PENTAACETATE |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H36O17S |
| InChI | InChI=1S/C29H36O17S/c1-12(30)38-11-20-23(42-14(3)32)24(43-15(4)33)25(44-16(5)34)28(45-20)46-27-21-17(9-40-29(36)47-7)8-19(41-13(2)31)22(21)18(10-39-27)26(35)37-6/h8,10,19-25,27-28H,9,11H2,1-7H3/t19?,20-,21+,22-,23-,24+,25-,27-,28+/m0/s1 |
| InChIKey | MQGAPHOCRLOYAV-BLPPSNCSSA-N |
| Literature Reference Author | D.N.QUANG,T.HASHIMOTO,M.TANAKA,N.X.DUNG,Y.ASAKAWA |
| Literature Reference Citation | PHYTOCHEM.,60,505(2002) |
| Literature Reference DOI | 10.1016/S0031-9422(02)00096-1 |
| Molecular Weight | 688.655 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMS1704 |