| SpectraBase Compound ID | LR5FwqtbcOb |
|---|---|
| InChI | InChI=1S/C42H66O16/c1-18(19(2)38(53)58-40-37(35(51)33(49)30(17-44)56-40)57-39-36(52)34(50)32(48)29(16-43)55-39)13-28(54-21(4)45)20(3)25-9-10-26-24-8-7-22-14-23(46)15-31(47)42(22,6)27(24)11-12-41(25,26)5/h7,20,23-37,39-40,43-44,46-52H,8-17H2,1-6H3/b19-18+/t20-,23+,24?,25+,26?,27?,28?,29-,30-,31-,32-,33-,34+,35+,36-,37-,39+,40+,41+,42-/m0/s1 |
| InChIKey | DJPYRNRYHHXWCD-DERYXHRNSA-N |
| Mol Weight | 827.0 g/mol |
| Molecular Formula | C42H66O16 |
| Exact Mass | 826.435086 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FuTb1rlJede |
|---|---|
| Name | DJPYRNRYHHXWCD-DERYXHRNSA-N |
| Compound Number | 9 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H66O16 |
| InChI | InChI=1S/C42H66O16/c1-18(19(2)38(53)58-40-37(35(51)33(49)30(17-44)56-40)57-39-36(52)34(50)32(48)29(16-43)55-39)13-28(54-21(4)45)20(3)25-9-10-26-24-8-7-22-14-23(46)15-31(47)42(22,6)27(24)11-12-41(25,26)5/h7,20,23-37,39-40,43-44,46-52H,8-17H2,1-6H3/b19-18+/t20-,23+,24?,25+,26?,27?,28?,29-,30-,31-,32-,33-,34+,35+,36-,37-,39+,40+,41+,42-/m0/s1 |
| InChIKey | DJPYRNRYHHXWCD-DERYXHRNSA-N |
| Literature Reference Author | A.C.WAISS,C.A.ELLIGER,W.F.HADDON,M.BENSON |
| Literature Reference Citation | J.NAT.PROD.,56,1365(1993) |
| Literature Reference DOI | 10.1021/np50098a021 |
| Molecular Weight | 826.976 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWCS18509 |