| SpectraBase Compound ID | 5FLefX8oDcv |
|---|---|
| InChI | InChI=1S/C40H56O8/c1-24-14-19-40(34(44)45)21-20-37(4)26(33(40)39(24,6)46)10-12-30-35(2)17-16-31(42)36(3,29(35)15-18-38(30,37)5)23-48-32(43)13-9-25-8-11-27(41)28(22-25)47-7/h8-11,13,22,24,29-31,33,41-42,46H,12,14-21,23H2,1-7H3,(H,44,45)/b13-9+/t24-,29+,30+,31-,33?,35-,36+,37+,38+,39+,40-/m0/s1 |
| InChIKey | YVIFDAOBWCJGOU-RTJHOLLVSA-N |
| Mol Weight | 664.9 g/mol |
| Molecular Formula | C40H56O8 |
| Exact Mass | 664.397519 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6vFnFSC6Y8C |
|---|---|
| Name | 3-BETA,19-DIHYDROXY-24-TRANS-FERULYLOXY-URS-12-EN-28-OIC-ACID |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C40H56O8 |
| InChI | InChI=1S/C40H56O8/c1-24-14-19-40(34(44)45)21-20-37(4)26(33(40)39(24,6)46)10-12-30-35(2)17-16-31(42)36(3,29(35)15-18-38(30,37)5)23-48-32(43)13-9-25-8-11-27(41)28(22-25)47-7/h8-11,13,22,24,29-31,33,41-42,46H,12,14-21,23H2,1-7H3,(H,44,45)/b13-9+/t24-,29+,30+,31-,33?,35-,36+,37+,38+,39+,40-/m0/s1 |
| InChIKey | YVIFDAOBWCJGOU-RTJHOLLVSA-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 | 664.880 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWBK289 |