![3-O-[BETA-D-APIOFURANOSYL-(1->3)]-BETA-D-GLUCOPYRANOSYL-2-BETA,3-BETA,6-BETA,16-ALPHA,23-PENTA-HYDROXYOLEAN-12-EN-28-OIC_ACID_METHYLESTER](/api/spectrum/WpJa5Coayb/structure.png?h=300&w=458 "3-O-[BETA-D-APIOFURANOSYL-(1->3)]-BETA-D-GLUCOPYRANOSYL-2-BETA,3-BETA,6-BETA,16-ALPHA,23-PENTA-HYDROXYOLEAN-12-EN-28-OIC_ACID_METHYLESTER")
| SpectraBase Compound ID | DEm6ZQyD3tt |
|---|---|
| InChI | InChI=1S/C42H68O16/c1-36(2)10-11-42(35(52)54-7)21(12-36)20-8-9-25-37(3)13-23(47)32(38(4,17-44)30(37)22(46)14-40(25,6)39(20,5)15-26(42)48)58-33-28(50)29(27(49)24(16-43)56-33)57-34-31(51)41(53,18-45)19-55-34/h8,21-34,43-51,53H,9-19H2,1-7H3/t21-,22+,23-,24+,25+,26+,27+,28+,29-,30+,31-,32-,33-,34-,37+,38-,39+,40+,41+,42+/m0/s1 |
| InChIKey | AYHHHIWPEGNRDB-UVLWPGJLSA-N |
| Mol Weight | 829.0 g/mol |
| Molecular Formula | C42H68O16 |
| Exact Mass | 828.450736 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | WpJa5Coayb |
|---|---|
| Name | 3-O-[BETA-D-APIOFURANOSYL-(1->3)]-BETA-D-GLUCOPYRANOSYL-2-BETA,3-BETA,6-BETA,16-ALPHA,23-PENTA-HYDROXYOLEAN-12-EN-28-OIC_ACID_METHYLESTER |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H68O16 |
| InChI | InChI=1S/C42H68O16/c1-36(2)10-11-42(35(52)54-7)21(12-36)20-8-9-25-37(3)13-23(47)32(38(4,17-44)30(37)22(46)14-40(25,6)39(20,5)15-26(42)48)58-33-28(50)29(27(49)24(16-43)56-33)57-34-31(51)41(53,18-45)19-55-34/h8,21-34,43-51,53H,9-19H2,1-7H3/t21-,22+,23-,24+,25+,26+,27+,28+,29-,30+,31-,32-,33-,34-,37+,38-,39+,40+,41+,42+/m0/s1 |
| InChIKey | AYHHHIWPEGNRDB-UVLWPGJLSA-N |
| Literature Reference Author | P.GARIBOLDI,L.VEROTTA,B.GABETTA |
| Literature Reference Citation | PHYTOCHEM.,29,2629(1990) |
| Literature Reference DOI | 10.1016/0031-9422(90)85201-P |
| Molecular Weight | 828.992 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMZ21208 |