| SpectraBase Compound ID | GV1Qn5BB1nA |
|---|---|
| InChI | InChI=1S/C34H50O9/c1-18(35)42-21-17-30(5)22-10-9-20-24-25(37)29(3,4)13-15-34(24,28(40)41)16-14-31(20,6)32(22,7)12-11-23(30)33(8,27(38)39)26(21)43-19(2)36/h9,21-26,37H,10-17H2,1-8H3,(H,38,39)(H,40,41)/t21-,22?,23?,24?,25+,26+,30-,31-,32-,33-,34+/m1/s1 |
| InChIKey | UKAFXHHGGJRYKL-VREAZSBSSA-N |
| Mol Weight | 602.8 g/mol |
| Molecular Formula | C34H50O9 |
| Exact Mass | 602.345483 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6zkGHVxNdPf |
|---|---|
| Name | 2-ALPHA,3-BETA-DI-O-ACETYL-19-ALPHA-HYDROXY-OLEAN-12-ENE-24,28-DIOIC-ACID;2,3-DI-ACETYL-BARTOGENIC-ACID |
| Compound Number | 1A |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C34H50O9 |
| InChI | InChI=1S/C34H50O9/c1-18(35)42-21-17-30(5)22-10-9-20-24-25(37)29(3,4)13-15-34(24,28(40)41)16-14-31(20,6)32(22,7)12-11-23(30)33(8,27(38)39)26(21)43-19(2)36/h9,21-26,37H,10-17H2,1-8H3,(H,38,39)(H,40,41)/t21-,22?,23?,24?,25+,26+,30-,31-,32-,33-,34+/m1/s1 |
| InChIKey | UKAFXHHGGJRYKL-VREAZSBSSA-N |
| Literature Reference Author | F.W.L.ARAUJO,M.P.SOUZA,R.B.FILHO |
| Literature Reference Citation | J.NAT.PROD.,53,1436(1990) |
| Literature Reference DOI | 10.1021/np50072a006 |
| Molecular Weight | 602.766 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCS23184 |