| SpectraBase Compound ID | IctTvKRIpha |
|---|---|
| InChI | InChI=1S/C40H56O6/c1-24(2)26-15-20-40(35(43)44)22-21-38(6)27(34(26)40)11-13-31-37(5)18-17-32(36(3,4)30(37)16-19-39(31,38)7)46-33(42)14-10-25-9-12-28(41)29(23-25)45-8/h9-10,12,14,23,26-27,30-32,34,41H,1,11,13,15-22H2,2-8H3,(H,43,44)/b14-10-/t26-,27?,30?,31?,32-,34?,37-,38+,39+,40-/m0/s1 |
| InChIKey | UXUVZTGGSMRNDQ-WBNATXIQSA-N |
| Mol Weight | 632.9 g/mol |
| Molecular Formula | C40H56O6 |
| Exact Mass | 632.40769 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LmO9M6tYeIq |
|---|---|
| Name | 3-O-BETA-CIS-FERULOYLBETULINIC_ACID |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C40H56O6 |
| InChI | InChI=1S/C40H56O6/c1-24(2)26-15-20-40(35(43)44)22-21-38(6)27(34(26)40)11-13-31-37(5)18-17-32(36(3,4)30(37)16-19-39(31,38)7)46-33(42)14-10-25-9-12-28(41)29(23-25)45-8/h9-10,12,14,23,26-27,30-32,34,41H,1,11,13,15-22H2,2-8H3,(H,43,44)/b14-10-/t26-,27?,30?,31?,32-,34?,37-,38+,39+,40-/m0/s1 |
| InChIKey | UXUVZTGGSMRNDQ-WBNATXIQSA-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 | 632.881 g/mol |
| Solvent | PYRIDINE-D5 |
| Source File Reference | UWMZ7205 |