| SpectraBase Compound ID | GpiE3SCshhY |
|---|---|
| InChI | InChI=1S/C39H54O6/c1-23(2)26-16-19-39(34(43)44)21-20-37(6)27(32(26)39)13-14-30-36(5)22-28(41)33(35(3,4)29(36)17-18-38(30,37)7)45-31(42)15-10-24-8-11-25(40)12-9-24/h8-12,15,26-30,32-33,40-41H,1,13-14,16-22H2,2-7H3,(H,43,44)/b15-10+/t26?,27?,28-,29?,30?,32?,33+,36+,37-,38-,39?/m1/s1 |
| InChIKey | AQHKWALTXQHZKK-JDKODKOMSA-N |
| Mol Weight | 618.9 g/mol |
| Molecular Formula | C39H54O6 |
| Exact Mass | 618.392039 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3EHAoIlxoAc |
|---|---|
| Name | 3-BETA-O-TRANS-PARA-COUMAROYL-ALPHITOLIC_ACID |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C39H54O6 |
| InChI | InChI=1S/C39H54O6/c1-23(2)26-16-19-39(34(43)44)21-20-37(6)27(32(26)39)13-14-30-36(5)22-28(41)33(35(3,4)29(36)17-18-38(30,37)7)45-31(42)15-10-24-8-11-25(40)12-9-24/h8-12,15,26-30,32-33,40-41H,1,13-14,16-22H2,2-7H3,(H,43,44)/b15-10+/t26?,27?,28-,29?,30?,32?,33+,36+,37-,38-,39?/m1/s1 |
| InChIKey | AQHKWALTXQHZKK-JDKODKOMSA-N |
| Literature Reference Author | S.Y.RYU,Z.NO,S.H.KIM,J.W.AHN |
| Literature Reference Citation | PLANTA.MED.,63,44(1997) |
| Literature Reference DOI | 10.1055/s-2006-957601 |
| Molecular Weight | 618.854 g/mol |
| Solvent | MEOH-D4 |
| Source File Reference | UIAP1012 |