| SpectraBase Compound ID | GLX48ZhH9ER |
|---|---|
| InChI | InChI=1S/C44H76O9/c1-10-11-12-13-14-17-34(47)51-26-30-36(48)37(49)38(50)39(52-30)53-44(9,21-15-16-27(2)3)28-18-23-43(8)35(28)29(45)25-32-41(6)22-20-33(46)40(4,5)31(41)19-24-42(32,43)7/h16,28-33,35-39,45-46,48-50H,10-15,17-26H2,1-9H3/t28-,29+,30+,31-,32+,33-,35+,36+,37-,38+,39-,41-,42+,43+,44-/m0/s1 |
| InChIKey | BNYAGGUZZCPAAE-AJBRNTQHSA-N |
| Mol Weight | 749.1 g/mol |
| Molecular Formula | C44H76O9 |
| Exact Mass | 748.548934 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BbEXfrcnwWI |
|---|---|
| Name | 3-BETA,12-BETA,(20S)-TRIHYDROXY-DAMMAR-24-ENE-20-O-BETA-D-GLUCOPYRANOSYL-6'-OCTANOYLESTER |
| Compound Number | 4C |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C44H76O9 |
| InChI | InChI=1S/C44H76O9/c1-10-11-12-13-14-17-34(47)51-26-30-36(48)37(49)38(50)39(52-30)53-44(9,21-15-16-27(2)3)28-18-23-43(8)35(28)29(45)25-32-41(6)22-20-33(46)40(4,5)31(41)19-24-42(32,43)7/h16,28-33,35-39,45-46,48-50H,10-15,17-26H2,1-9H3/t28-,29+,30+,31-,32+,33-,35+,36+,37-,38+,39-,41-,42+,43+,44-/m0/s1 |
| InChIKey | BNYAGGUZZCPAAE-AJBRNTQHSA-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 | 749.082 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWBT9106 |