| SpectraBase Compound ID | HYXdTnqU7pn |
|---|---|
| InChI | InChI=1S/C37H52O7/c1-21-14-17-37(31(41)42)19-18-34(5)24(28(37)36(21,7)43)12-13-27-33(4)20-25(39)29(32(2,3)26(33)15-16-35(27,34)6)44-30(40)22-8-10-23(38)11-9-22/h8-12,21,25-29,38-39,43H,13-20H2,1-7H3,(H,41,42)/t21-,25-,26+,27-,28-,29+,33+,34-,35-,36-,37+/m1/s1 |
| InChIKey | PRVHNWFQCWPFDT-JEYOAAJESA-N |
| Mol Weight | 608.8 g/mol |
| Molecular Formula | C37H52O7 |
| Exact Mass | 608.371304 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | C8kj48PAfGz |
|---|---|
| Name | 3-BETA-PARA-HYDROXYBENZOYLOXY-TORMENTIC-ACID;3-BETA-(PARA-HYDROXYBENZOYLOXY)-2-ALPHA-HYDROXY-URS-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 | C37H52O7 |
| InChI | InChI=1S/C37H52O7/c1-21-14-17-37(31(41)42)19-18-34(5)24(28(37)36(21,7)43)12-13-27-33(4)20-25(39)29(32(2,3)26(33)15-16-35(27,34)6)44-30(40)22-8-10-23(38)11-9-22/h8-12,21,25-29,38-39,43H,13-20H2,1-7H3,(H,41,42)/t21-,25-,26+,27-,28-,29+,33+,34-,35-,36-,37+/m1/s1 |
| InChIKey | PRVHNWFQCWPFDT-JEYOAAJESA-N |
| Literature Reference Author | J.C.A.TANAKA,G.J.VIDOTTI,C.C.D.SILVA |
| Literature Reference Citation | J.BRAZ.CHEM.SOC.,14,475(2003) |
| Literature Reference DOI | 10.1590/s0103-50532003000300024 |
| Molecular Weight | 608.816 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWLU6942 |