| SpectraBase Compound ID | Cfw6GjfQpxf |
|---|---|
| InChI | InChI=1S/C39H54O7/c1-34(2)16-18-39(33(44)45)19-17-37(6)24(25(39)21-34)10-12-30-36(5)22-28(42)32(35(3,4)29(36)14-15-38(30,37)7)46-31(43)13-9-23-8-11-26(40)27(41)20-23/h8-11,13,20,25,28-30,32,40-42H,12,14-19,21-22H2,1-7H3,(H,44,45)/b13-9+/t25-,28+,29-,30+,32-,36-,37+,38+,39-/m0/s1 |
| InChIKey | RXPXPIXYLTUYHE-JNMJKHHHSA-N |
| Mol Weight | 634.9 g/mol |
| Molecular Formula | C39H54O7 |
| Exact Mass | 634.386954 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EJKwJ4gKs0r |
|---|---|
| Name | 3-BETA-O-TRANS-CAFFEOYL-2-ALPHA-HYDROXY-OLEAN-12-EN-28-OIC_ACID |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C39H54O7 |
| InChI | InChI=1S/C39H54O7/c1-34(2)16-18-39(33(44)45)19-17-37(6)24(25(39)21-34)10-12-30-36(5)22-28(42)32(35(3,4)29(36)14-15-38(30,37)7)46-31(43)13-9-23-8-11-26(40)27(41)20-23/h8-11,13,20,25,28-30,32,40-42H,12,14-19,21-22H2,1-7H3,(H,44,45)/b13-9+/t25-,28+,29-,30+,32-,36-,37+,38+,39-/m0/s1 |
| InChIKey | RXPXPIXYLTUYHE-JNMJKHHHSA-N |
| Literature Reference Author | X.RUDIYANSYAH,M.J.GARSON |
| Literature Reference Citation | J.NAT.PROD.,69,1218(2006) |
| Literature Reference DOI | 10.1021/np050553t |
| Molecular Weight | 634.854 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWMZ15606 |