![ENT-14-LABDEN-8-BETA-OL-19-ACETYL_13-ALPHA-O-[2'',3'',4''-TRI-O-ACETYL-BETA-D-QUINOVOPYRANOSYL-(1->2)-3',4'-DI-O-ACETYL-BETA-D-GLUCOPYRANOSIDE]](/api/spectrum/LBUrjYvtqxF/structure.png?h=300&w=458 "ENT-14-LABDEN-8-BETA-OL-19-ACETYL_13-ALPHA-O-[2'',3'',4''-TRI-O-ACETYL-BETA-D-QUINOVOPYRANOSYL-(1->2)-3',4'-DI-O-ACETYL-BETA-D-GLUCOPYRANOSIDE]")
| SpectraBase Compound ID | CpdpYPna6pM |
|---|---|
| InChI | InChI=1S/C44H68O17/c1-14-42(11,20-16-32-43(12)19-15-18-41(10,22-52-25(4)45)31(43)17-21-44(32,13)51)61-40-38(36(58-29(8)49)34(24(3)54-40)56-27(6)47)60-39-37(59-30(9)50)35(57-28(7)48)33(23(2)53-39)55-26(5)46/h14,23-24,31-40,51H,1,15-22H2,2-13H3/t23-,24+,31-,32+,33-,34+,35+,36-,37-,38-,39+,40+,41+,42+,43-,44-/m1/s1 |
| InChIKey | PYQNUMACIHMTDX-LSOQKZEDSA-N |
| Mol Weight | 869.0 g/mol |
| Molecular Formula | C44H68O17 |
| Exact Mass | 868.445651 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LBUrjYvtqxF |
|---|---|
| Name | ENT-14-LABDEN-8-BETA-OL-19-ACETYL_13-ALPHA-O-[2'',3'',4''-TRI-O-ACETYL-BETA-D-QUINOVOPYRANOSYL-(1->2)-3',4'-DI-O-ACETYL-BETA-D-GLUCOPYRANOSIDE] |
| Compound Number | 1O |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C44H68O17 |
| InChI | InChI=1S/C44H68O17/c1-14-42(11,20-16-32-43(12)19-15-18-41(10,22-52-25(4)45)31(43)17-21-44(32,13)51)61-40-38(36(58-29(8)49)34(24(3)54-40)56-27(6)47)60-39-37(59-30(9)50)35(57-28(7)48)33(23(2)53-39)55-26(5)46/h14,23-24,31-40,51H,1,15-22H2,2-13H3/t23-,24+,31-,32+,33-,34+,35+,36-,37-,38-,39+,40+,41+,42+,43-,44-/m1/s1 |
| InChIKey | PYQNUMACIHMTDX-LSOQKZEDSA-N |
| Literature Reference Author | C.SOCOLSKY,Y.ASAKAWA,A.BARDON |
| Literature Reference Citation | J.NAT.PROD.,70,1837(2007) |
| Literature Reference DOI | 10.1021/np070119m |
| Molecular Weight | 869.014 g/mol |
| Sample ID | 31119 |
| Solvent | CDCl3 |