| SpectraBase Compound ID | 6DVgban1Bxq |
|---|---|
| InChI | InChI=1S/C32H50O4/c1-20(33)36-25-12-13-30(7)23(28(25,4)5)11-14-31(8)24(30)10-9-21-22-19-27(2,3)15-16-29(22,6)17-18-32(21,31)26(34)35/h9,22-25H,10-19H2,1-8H3,(H,34,35)/t22-,23-,24+,25+,29+,30-,31+,32+/m0/s1 |
| InChIKey | IQYUEJTVDLHZDJ-DOYYAIILSA-N |
| Mol Weight | 498.7 g/mol |
| Molecular Formula | C32H50O4 |
| Exact Mass | 498.37091 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1tg321VjDGs |
|---|---|
| Name | 3-ALPHA-ACETOXYOLEAN-12-EN-27-OIC-ACID |
| CAS Registry Number | 86727-48-2 |
| Compound Number | 3C |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C32H50O4 |
| InChI | InChI=1S/C32H50O4/c1-20(33)36-25-12-13-30(7)23(28(25,4)5)11-14-31(8)24(30)10-9-21-22-19-27(2,3)15-16-29(22,6)17-18-32(21,31)26(34)35/h9,22-25H,10-19H2,1-8H3,(H,34,35)/t22-,23-,24+,25+,29+,30-,31+,32+/m0/s1 |
| InChIKey | IQYUEJTVDLHZDJ-DOYYAIILSA-N |
| Literature Reference Author | T.K.CHEN,D.C.ALES,N.C.BAENZIGER,D.F.WIEMER |
| Literature Reference Citation | J.ORG.CHEM.,48,3525(1983) |
| Literature Reference DOI | 10.1021/jo00168a030 |
| Molecular Weight | 498.747 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UNIW11622 |