| SpectraBase Compound ID | 806iW0yYa2R |
|---|---|
| InChI | InChI=1S/C39H52O7/c1-34(2)17-18-38(33(44)45)19-20-39(23-46-32(43)12-8-24-7-10-27(40)28(41)21-24)25(26(38)22-34)9-11-30-36(5)15-14-31(42)35(3,4)29(36)13-16-37(30,39)6/h7-10,12,21,26,29-30,40-41H,11,13-20,22-23H2,1-6H3,(H,44,45)/b12-8+/t26-,29-,30+,36-,37+,38-,39-/m0/s1 |
| InChIKey | RHAKBYCTYSBWIE-QWZNMBRFSA-N |
| Mol Weight | 632.8 g/mol |
| Molecular Formula | C39H52O7 |
| Exact Mass | 632.371304 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5QVA1nvkv3Q |
|---|---|
| Name | MYRICERIC-ACID-A;3-OXO-27-TRANS-CAFFEOYLOXY-OLEAN-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 | C39H52O7 |
| InChI | InChI=1S/C39H52O7/c1-34(2)17-18-38(33(44)45)19-20-39(23-46-32(43)12-8-24-7-10-27(40)28(41)21-24)25(26(38)22-34)9-11-30-36(5)15-14-31(42)35(3,4)29(36)13-16-37(30,39)6/h7-10,12,21,26,29-30,40-41H,11,13-20,22-23H2,1-6H3,(H,44,45)/b12-8+/t26-,29-,30+,36-,37+,38-,39-/m0/s1 |
| InChIKey | RHAKBYCTYSBWIE-QWZNMBRFSA-N |
| Literature Reference Author | K.SAKURAWI,F.YASUDA,T.TOZYO,M.NAKAMURA,T.SATO,J.KIKUCHI,Y.TE RUI,Y.IKENISHI,T.IW |
| Literature Reference Citation | CHEM.PHARM.BULL.,44,343(1996) |
| Literature Reference DOI | 10.1248/cpb.44.343 |
| Molecular Weight | 632.838 g/mol |
| Solvent | CDCl3:CD3OH=10:1 |
| Source File Reference | UWLU31650 |