| SpectraBase Compound ID | JWrRSnpKND8 |
|---|---|
| InChI | InChI=1S/C39H52O7/c1-23-13-18-38(34(44)45)19-20-39(22-46-32(43)12-8-25-7-10-27(40)28(41)21-25)26(33(38)24(23)2)9-11-30-36(5)16-15-31(42)35(3,4)29(36)14-17-37(30,39)6/h7-10,12,21,23-24,29-30,33,40-41H,11,13-20,22H2,1-6H3,(H,44,45)/b12-8+/t23-,24+,29-,30+,33-,36-,37+,38-,39-/m0/s1 |
| InChIKey | OICPLULMPYDASP-OFJSYFOASA-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 | 3CJdn1ZDQe6 |
|---|---|
| Name | MYRICERIC-ACID-D;3-OXO-27-TRANS-CAFFEOYLOXY-URS-12-EN-28-OIC-ACID |
| Compound Number | 8 |
| Copyright | Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C39H52O7 |
| InChI | InChI=1S/C39H52O7/c1-23-13-18-38(34(44)45)19-20-39(22-46-32(43)12-8-25-7-10-27(40)28(41)21-25)26(33(38)24(23)2)9-11-30-36(5)16-15-31(42)35(3,4)29(36)14-17-37(30,39)6/h7-10,12,21,23-24,29-30,33,40-41H,11,13-20,22H2,1-6H3,(H,44,45)/b12-8+/t23-,24+,29-,30+,33-,36-,37+,38-,39-/m0/s1 |
| InChIKey | OICPLULMPYDASP-OFJSYFOASA-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:CD3OD=10:1 |
| Source File Reference | UWLU31652 |
| SpectraBase Batch ID | 9UbrrOfCAEE |