| SpectraBase Compound ID | JXqdRSuubc4 |
|---|---|
| InChI | InChI=1S/C42H54O20/c1-21(43)54-20-36-39(59-25(5)47)40(60-26(6)48)41(61-27(7)49)42(62-36)55-19-31(13-28-14-32(51-9)37(57-23(3)45)33(15-28)52-10)30(18-50-8)12-29-16-34(53-11)38(58-24(4)46)35(17-29)56-22(2)44/h14-17,30-31,36,39-42H,12-13,18-20H2,1-11H3/t30-,31+,36?,39?,40?,41?,42?/m0/s1 |
| InChIKey | MTNVPHCMQYXCKV-UALSJIQSSA-N |
| Mol Weight | 878.9 g/mol |
| Molecular Formula | C42H54O20 |
| Exact Mass | 878.320844 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 87rz5ZI1VEf |
|---|---|
| Name | MTNVPHCMQYXCKV-UALSJIQSSA-N |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H54O20 |
| InChI | InChI=1S/C42H54O20/c1-21(43)54-20-36-39(59-25(5)47)40(60-26(6)48)41(61-27(7)49)42(62-36)55-19-31(13-28-14-32(51-9)37(57-23(3)45)33(15-28)52-10)30(18-50-8)12-29-16-34(53-11)38(58-24(4)46)35(17-29)56-22(2)44/h14-17,30-31,36,39-42H,12-13,18-20H2,1-11H3/t30-,31+,36?,39?,40?,41?,42?/m0/s1 |
| InChIKey | MTNVPHCMQYXCKV-UALSJIQSSA-N |
| Literature Reference Author | J.GARNIER,J.MAHUTEAU,M.PLAT |
| Literature Reference Citation | J.NAT.PROD.,51,484(1988) |
| Literature Reference DOI | 10.1021/np50057a003 |
| Molecular Weight | 878.879 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWED17260 |