| SpectraBase Compound ID | Cc3v9KG1ukm |
|---|---|
| InChI | InChI=1S/C42H72O9/c1-10-11-12-15-32(45)49-24-28-34(46)35(47)36(48)37(50-28)51-42(9,19-13-14-25(2)3)26-16-21-41(8)33(26)27(43)23-30-39(6)20-18-31(44)38(4,5)29(39)17-22-40(30,41)7/h14,26-31,33-37,43-44,46-48H,10-13,15-24H2,1-9H3/t26-,27+,28+,29-,30+,31-,33+,34+,35-,36+,37-,39-,40+,41+,42-/m0/s1 |
| InChIKey | NLYKWOIJBZQQCK-YDIJSNFDSA-N |
| Mol Weight | 721.0 g/mol |
| Molecular Formula | C42H72O9 |
| Exact Mass | 720.517634 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3de3J2DTBvs |
|---|---|
| Name | 3-BETA,12-BETA,(20S)-TRIHYDROXY-DAMMAR-24-ENE-20-O-BETA-D-GLUCOPYRANOSYL-6'-HEXYLESTER |
| Compound Number | 5C |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H72O9 |
| InChI | InChI=1S/C42H72O9/c1-10-11-12-15-32(45)49-24-28-34(46)35(47)36(48)37(50-28)51-42(9,19-13-14-25(2)3)26-16-21-41(8)33(26)27(43)23-30-39(6)20-18-31(44)38(4,5)29(39)17-22-40(30,41)7/h14,26-31,33-37,43-44,46-48H,10-13,15-24H2,1-9H3/t26-,27+,28+,29-,30+,31-,33+,34+,35-,36+,37-,39-,40+,41+,42-/m0/s1 |
| InChIKey | NLYKWOIJBZQQCK-YDIJSNFDSA-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 | 721.028 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWBT9107 |