| SpectraBase Compound ID | CZFPmR2BuA3 |
|---|---|
| InChI | InChI=1S/C31H48O5/c1-26(2)14-16-31(24(33)34)17-15-28(4)19(20(31)18-26)8-9-21-27(3)12-11-23(32)30(6,25(35)36-7)22(27)10-13-29(21,28)5/h8,20-23,32H,9-18H2,1-7H3,(H,33,34)/t20-,21+,22+,23-,27+,28+,29+,30-,31-/m0/s1 |
| InChIKey | ZTADBTFVRJWIEY-KPKOFJSASA-N |
| Mol Weight | 500.7 g/mol |
| Molecular Formula | C31H48O5 |
| Exact Mass | 500.350175 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | iPujaH4Doh |
|---|---|
| Name | PISONOLIC_ACID;OLEANANIC_ACID_23-ALPHA-METHYLCARBOXYLATE |
| Compound Number | 11 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H48O5 |
| InChI | InChI=1S/C31H48O5/c1-26(2)14-16-31(24(33)34)17-15-28(4)19(20(31)18-26)8-9-21-27(3)12-11-23(32)30(6,25(35)36-7)22(27)10-13-29(21,28)5/h8,20-23,32H,9-18H2,1-7H3,(H,33,34)/t20-,21+,22+,23-,27+,28+,29+,30-,31-/m0/s1 |
| InChIKey | ZTADBTFVRJWIEY-KPKOFJSASA-N |
| Literature Reference Author | M.C.WU,C.F.PENG,I.S.CHEN,I.L.TSAI |
| Literature Reference Citation | J.NAT.PROD.,74,976(2011) |
| Literature Reference DOI | 10.1021/np1008575 |
| Molecular Weight | 500.719 g/mol |
| Sample ID | 38071 |
| Solvent | CDCl3 |