| SpectraBase Compound ID | 3c1x3o6kXKs |
|---|---|
| InChI | InChI=1S/C39H52O7/c1-23-15-18-39(34(44)45)20-19-37(5)27(32(39)24(23)2)12-13-30-35(3)21-28(41)33(43)36(4,29(35)16-17-38(30,37)6)22-46-31(42)14-9-25-7-10-26(40)11-8-25/h7-12,14,23,28-30,32-33,40-41,43H,2,13,15-22H2,1,3-6H3,(H,44,45)/b14-9+/t23-,28-,29?,30?,32?,33+,35+,36+,37-,38-,39+/m1/s1 |
| InChIKey | UHVBFXBVBCSACP-PSKZVNKSSA-N |
| Mol Weight | 632.8 g/mol |
| Molecular Formula | C39H52O7 |
| Exact Mass | 632.371304 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4UtcdZxhg52 |
|---|---|
| Name | 23-(TRANS-PARA-COUMAROYLOXY)-2-ALPHA,3-BETA-DIHYDROXY-URS-12,19(29)-DIEN-28-OIC-ACID |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C39H52O7 |
| InChI | InChI=1S/C39H52O7/c1-23-15-18-39(34(44)45)20-19-37(5)27(32(39)24(23)2)12-13-30-35(3)21-28(41)33(43)36(4,29(35)16-17-38(30,37)6)22-46-31(42)14-9-25-7-10-26(40)11-8-25/h7-12,14,23,28-30,32-33,40-41,43H,2,13,15-22H2,1,3-6H3,(H,44,45)/b14-9+/t23-,28-,29?,30?,32?,33+,35+,36+,37-,38-,39+/m1/s1 |
| InChIKey | UHVBFXBVBCSACP-PSKZVNKSSA-N |
| Literature Reference Author | N.D.TOMMASI,L.RASTRELLI,M.R.LAURO,R.AQUINO |
| Literature Reference Citation | PHYTOCHEM.,49,1123(1998) |
| Literature Reference DOI | 10.1016/S0031-9422(97)01060-1 |
| Molecular Weight | 632.838 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWLU439 |