| SpectraBase Compound ID | 5xxhSudbKXA |
|---|---|
| InChI | InChI=1S/C40H56O7/c1-24-14-19-40(35(44)45)21-20-38(5)27(34(40)25(24)2)10-12-31-36(3)17-16-32(42)37(4,30(36)15-18-39(31,38)6)23-47-33(43)13-9-26-8-11-28(41)29(22-26)46-7/h8-11,13,22,24-25,30-32,34,41-42H,12,14-21,23H2,1-7H3,(H,44,45)/b13-9+/t24-,25+,30-,31-,32+,34+,36+,37-,38-,39-,40+/m1/s1 |
| InChIKey | VXDVEQQZHDXFGF-AQAAQUNPSA-N |
| Mol Weight | 648.9 g/mol |
| Molecular Formula | C40H56O7 |
| Exact Mass | 648.402604 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HPBakI4Q42H |
|---|---|
| Name | 3-BETA-HYDROXY-24-TRANS-FERULYLOXY-URS-12-EN-28-OIC-ACID |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C40H56O7 |
| InChI | InChI=1S/C40H56O7/c1-24-14-19-40(35(44)45)21-20-38(5)27(34(40)25(24)2)10-12-31-36(3)17-16-32(42)37(4,30(36)15-18-39(31,38)6)23-47-33(43)13-9-26-8-11-28(41)29(22-26)46-7/h8-11,13,22,24-25,30-32,34,41-42H,12,14-21,23H2,1-7H3,(H,44,45)/b13-9+/t24-,25+,30-,31-,32+,34+,36+,37-,38-,39-,40+/m1/s1 |
| InChIKey | VXDVEQQZHDXFGF-AQAAQUNPSA-N |
| Literature Reference Author | C.Y.DUH,J.M.PEZZUTO,A.D.KINGHORN,S.L.LEUNG,N.R.FARNSWORTH |
| Literature Reference Citation | J.NAT.PROD.,50,63(1987) |
| Literature Reference DOI | 10.1021/np50049a010 |
| Molecular Weight | 648.880 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWBK287 |