| SpectraBase Compound ID | BXKtUnYKotT |
|---|---|
| InChI | InChI=1S/C29H44O5/c1-16-17-9-10-27(5)21(26(17,4)14-20(30)23(16)32)8-7-18-19-13-25(2,3)11-12-29(19,24(33)34)22(31)15-28(18,27)6/h7,17,19-23,30-32H,1,8-15H2,2-6H3,(H,33,34)/t17-,19-,20+,21+,22+,23-,26-,27+,28+,29+/m0/s1 |
| InChIKey | XOUYZDRPADCJBZ-MRFSFDAKSA-N |
| Mol Weight | 472.7 g/mol |
| Molecular Formula | C29H44O5 |
| Exact Mass | 472.318875 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1Z3mXTIoFry |
|---|---|
| Name | 2-ALPHA,3-ALPHA,16-ALPHA-TRIHYDROXY-24-NOR-4(23),12-OLEANDIEN-28-OIC-ACID |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H44O5 |
| InChI | InChI=1S/C29H44O5/c1-16-17-9-10-27(5)21(26(17,4)14-20(30)23(16)32)8-7-18-19-13-25(2,3)11-12-29(19,24(33)34)22(31)15-28(18,27)6/h7,17,19-23,30-32H,1,8-15H2,2-6H3,(H,33,34)/t17-,19-,20+,21+,22+,23-,26-,27+,28+,29+/m0/s1 |
| InChIKey | XOUYZDRPADCJBZ-MRFSFDAKSA-N |
| Literature Reference Author | G.CIOFFI,A.BADER,A.MALAFRONTE,F.D.PIAZ,N.D.TOMMASI |
| Literature Reference Citation | PHYTOCHEM.,69,1005(2008) |
| Literature Reference DOI | 10.1016/j.phytochem.2007.11.002 |
| Molecular Weight | 472.665 g/mol |
| Sample ID | 43260 |
| Solvent | CD3OD |