| SpectraBase Compound ID | GMKcDEe9dfH |
|---|---|
| InChI | InChI=1S/C39H56O6/c1-24(2)26-13-18-39(23-41)20-19-37(5)27(34(26)39)9-11-31-35(3)16-15-32(36(4,22-40)30(35)14-17-38(31,37)6)45-33(44)12-8-25-7-10-28(42)29(43)21-25/h7-8,10,12,21,26-27,30-32,34,40-43H,1,9,11,13-20,22-23H2,2-6H3/b12-8+/t26-,27+,30+,31+,32-,34+,35-,36-,37+,38+,39+/m0/s1 |
| InChIKey | SSEGSBMQGFCSBY-KEMSSATHSA-N |
| Mol Weight | 620.9 g/mol |
| Molecular Formula | C39H56O6 |
| Exact Mass | 620.40769 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FJdXXTRi0lL |
|---|---|
| Name | 23,28-DIHYDROXY-LUPAN-12-ENE-3-BETA-CAFFEATE |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C39H56O6 |
| InChI | InChI=1S/C39H56O6/c1-24(2)26-13-18-39(23-41)20-19-37(5)27(34(26)39)9-11-31-35(3)16-15-32(36(4,22-40)30(35)14-17-38(31,37)6)45-33(44)12-8-25-7-10-28(42)29(43)21-25/h7-8,10,12,21,26-27,30-32,34,40-43H,1,9,11,13-20,22-23H2,2-6H3/b12-8+/t26-,27+,30+,31+,32-,34+,35-,36-,37+,38+,39+/m0/s1 |
| InChIKey | SSEGSBMQGFCSBY-KEMSSATHSA-N |
| Literature Reference Author | J.A.GUERRERO-ANALCO,L.MARTINEAU,A.SALEEM,P.MADIRAJU,A.MUHAMM AD,T.DURST,P.HADDAD, |
| Literature Reference Citation | J.NAT.PROD.,73,1519(2010) |
| Literature Reference DOI | 10.1021/np1003005 |
| Molecular Weight | 620.870 g/mol |
| Sample ID | 36324 |
| Solvent | C5D5N |