| SpectraBase Compound ID | DT1lU3fRsJa |
|---|---|
| InChI | InChI=1S/C40H66O18/c1-10-12-14-15-16-18-20-48-38-29(46)35(32(22(4)49-38)56-28(45)19-17-13-11-2)57-40-37(55-27(9)44)36(33(23(5)51-40)53-25(7)42)58-39-30(47)34(54-26(8)43)31(21(3)50-39)52-24(6)41/h21-23,29-40,46-47H,10-20H2,1-9H3/t21-,22+,23-,29-,30+,31-,32+,33-,34-,35+,36+,37+,38-,39-,40-/m0/s1 |
| InChIKey | DBTGYAVTHIAQRY-IRRFFPBRSA-N |
| Mol Weight | 834.9 g/mol |
| Molecular Formula | C40H66O18 |
| Exact Mass | 834.424915 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GUYTyLQryNt |
|---|---|
| Name | MEZZETTIASIDE-ML-3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C40H66O18 |
| InChI | InChI=1S/C40H66O18/c1-10-12-14-15-16-18-20-48-38-29(46)35(32(22(4)49-38)56-28(45)19-17-13-11-2)57-40-37(55-27(9)44)36(33(23(5)51-40)53-25(7)42)58-39-30(47)34(54-26(8)43)31(21(3)50-39)52-24(6)41/h21-23,29-40,46-47H,10-20H2,1-9H3/t21-,22+,23-,29-,30+,31-,32+,33-,34-,35+,36+,37+,38-,39-,40-/m0/s1 |
| InChIKey | DBTGYAVTHIAQRY-IRRFFPBRSA-N |
| Literature Reference Author | D.A.POWELL,W.S.ZORK,H.VANHELBEEK,J.T.ETSE,A.I.GRAY,P.G.WATER MAN |
| Literature Reference Citation | CAN.J.CHEM.,68,1044(1990) |
| Literature Reference DOI | 10.1139/v90-163 |
| Molecular Weight | 834.953 g/mol |
| Solvent | C6D6:CD3OD=4:1 |
| Source File Reference | UWCS12340 |