| SpectraBase Compound ID | 6f3T1eDkOAb |
|---|---|
| InChI | InChI=1S/C43H66O9/c1-25(2)13-12-19-43(8,52-38-36(48)35(47)34(46)29(51-38)24-50-37(49)26-14-10-9-11-15-26)27-16-21-42(7)33(27)28(44)23-31-40(5)20-18-32(45)39(3,4)30(40)17-22-41(31,42)6/h9-11,13-15,27-36,38,44-48H,12,16-24H2,1-8H3/t27-,28+,29+,30-,31+,32-,33+,34+,35-,36+,38-,40-,41+,42+,43-/m0/s1 |
| InChIKey | NXFWVKDBHHCIAB-YJKOTAKPSA-N |
| Mol Weight | 727.0 g/mol |
| Molecular Formula | C43H66O9 |
| Exact Mass | 726.470684 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3VfPNORGUg4 |
|---|---|
| Name | 3-BETA,12-BETA,(20S)-TRIHYDROXY-DAMMAR-24-ENE-20-O-BETA-D-GLUCOPYRANOSYL-6'-BENZOYLESTER |
| Compound Number | 7C |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C43H66O9 |
| InChI | InChI=1S/C43H66O9/c1-25(2)13-12-19-43(8,52-38-36(48)35(47)34(46)29(51-38)24-50-37(49)26-14-10-9-11-15-26)27-16-21-42(7)33(27)28(44)23-31-40(5)20-18-32(45)39(3,4)30(40)17-22-41(31,42)6/h9-11,13-15,27-36,38,44-48H,12,16-24H2,1-8H3/t27-,28+,29+,30-,31+,32-,33+,34+,35-,36+,38-,40-,41+,42+,43-/m0/s1 |
| InChIKey | NXFWVKDBHHCIAB-YJKOTAKPSA-N |
| Literature Reference Author | W.F.LI,L.R.CHEN,X.J.GONG,Z.N.LI,K.K.LI |
| Literature Reference Citation | MOLECULES,18,3689(2013) |
| Literature Reference DOI | 10.3390/molecules18043689 |
| Molecular Weight | 726.992 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWBT9109 |