| SpectraBase Compound ID | JIiNNWDjmXQ |
|---|---|
| InChI | InChI=1S/C32H50O7/c1-18-11-14-32(26(36)39-8)16-15-28(3)19(23(32)31(18,6)37)9-10-21-27(2)13-12-22(34)30(5,25(35)38-7)24(27)20(33)17-29(21,28)4/h9,18,20-24,33-34,37H,10-17H2,1-8H3/t18-,20?,21?,22+,23?,24?,27-,28-,29-,30-,31-,32+/m1/s1 |
| InChIKey | ZFIRESUMIYOQOA-OXPUHCTASA-N |
| Mol Weight | 546.7 g/mol |
| Molecular Formula | C32H50O7 |
| Exact Mass | 546.355654 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2PLFBaJL2aZ |
|---|---|
| Name | 3-BETA,6-BETA,19-ALPHA-TRIHYDROXY-URS-12-ENE-23,28-DIMETHYLOATE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C32H50O7 |
| InChI | InChI=1S/C32H50O7/c1-18-11-14-32(26(36)39-8)16-15-28(3)19(23(32)31(18,6)37)9-10-21-27(2)13-12-22(34)30(5,25(35)38-7)24(27)20(33)17-29(21,28)4/h9,18,20-24,33-34,37H,10-17H2,1-8H3/t18-,20?,21?,22+,23?,24?,27-,28-,29-,30-,31-,32+/m1/s1 |
| InChIKey | ZFIRESUMIYOQOA-OXPUHCTASA-N |
| Literature Reference Author | R.AQUINO,V.DEFEO,F.DESIMONE,C.PIZZA,G.CIRINO |
| Literature Reference Citation | J.NAT.PROD.,54,453(1991) |
| Literature Reference DOI | 10.1021/np50074a016 |
| Molecular Weight | 546.745 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWCS5349 |