| SpectraBase Compound ID | 8C7JwiYoFBQ |
|---|---|
| InChI | InChI=1S/C47H70O16/c1-9-24-25(26(38(55)59-8)21-60-39(24)63-40-35(53)34(52)33(51)29(20-48)62-40)18-32(50)61-22-43(4)30-13-14-45(6)31(42(30,3)19-28(49)37(43)54)11-10-27-36-46(7,58)23(2)12-15-47(36,41(56)57)17-16-44(27,45)5/h9-10,21,23-25,28-31,33-37,39-40,48-49,51-54,58H,1,11-20,22H2,2-8H3,(H,56,57)/t23-,24-,25+,28-,29+,30?,31?,33+,34-,35+,36?,37+,39+,40-,42+,43-,44-,45-,46-,47+/m1/s1 |
| InChIKey | ODUAGRXURVLTKL-FXTUDJCESA-N |
| Mol Weight | 891.1 g/mol |
| Molecular Formula | C47H70O16 |
| Exact Mass | 890.466386 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AlyiTZmsyxK |
|---|---|
| Name | DESFONTAINIC-ACID |
| Compound Number | 219 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C47H70O16 |
| InChI | InChI=1S/C47H70O16/c1-9-24-25(26(38(55)59-8)21-60-39(24)63-40-35(53)34(52)33(51)29(20-48)62-40)18-32(50)61-22-43(4)30-13-14-45(6)31(42(30,3)19-28(49)37(43)54)11-10-27-36-46(7,58)23(2)12-15-47(36,41(56)57)17-16-44(27,45)5/h9-10,21,23-25,28-31,33-37,39-40,48-49,51-54,58H,1,11-20,22H2,2-8H3,(H,56,57)/t23-,24-,25+,28-,29+,30?,31?,33+,34-,35+,36?,37+,39+,40-,42+,43-,44-,45-,46-,47+/m1/s1 |
| InChIKey | ODUAGRXURVLTKL-FXTUDJCESA-N |
| Literature Reference Author | C.A.BOROS,F.R.STERMITZ |
| Literature Reference Citation | J.NAT.PROD.,54,1173(1991) |
| Literature Reference DOI | 10.1021/np50077a001 |
| Molecular Weight | 891.063 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCS4517 |