| SpectraBase Compound ID | A3JCo5sPanf |
|---|---|
| InChI | InChI=1S/C39H54O5/c1-24(2)27-16-21-39(34(42)43)23-22-37(6)28(33(27)39)13-14-30-36(5)19-18-31(35(3,4)29(36)17-20-38(30,37)7)44-32(41)15-10-25-8-11-26(40)12-9-25/h8-12,15,27-31,33,40H,1,13-14,16-23H2,2-7H3,(H,42,43)/b15-10-/t27-,28?,29?,30?,31-,33?,36-,37+,38+,39-/m0/s1 |
| InChIKey | QYUWZMVAARIGMO-JQTYELCTSA-N |
| Mol Weight | 602.9 g/mol |
| Molecular Formula | C39H54O5 |
| Exact Mass | 602.397125 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DURWnB0POhc |
|---|---|
| Name | 3-BETA-O-CIS-COUMAROYLBETULINIC_ACID |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C39H54O5 |
| InChI | InChI=1S/C39H54O5/c1-24(2)27-16-21-39(34(42)43)23-22-37(6)28(33(27)39)13-14-30-36(5)19-18-31(35(3,4)29(36)17-20-38(30,37)7)44-32(41)15-10-25-8-11-26(40)12-9-25/h8-12,15,27-31,33,40H,1,13-14,16-23H2,2-7H3,(H,42,43)/b15-10-/t27-,28?,29?,30?,31-,33?,36-,37+,38+,39-/m0/s1 |
| InChIKey | QYUWZMVAARIGMO-JQTYELCTSA-N |
| Literature Reference Author | N.Q.CHIEN,N.V.HUNG,B.D.SANTARSIERO,A.D.MESECAR,N.M.CUONG,D.D .SOEJARTO,J.M.PEZZUT |
| Literature Reference Citation | J.NAT.PROD.,67,994(2004) |
| Literature Reference DOI | 10.1021/np030469i |
| Molecular Weight | 602.855 g/mol |
| Solvent | PYRIDINE-D5 |
| Source File Reference | UWMZ7207 |