Spektraris NMR
2alpha,3beta-Dihydroxyoleana-9(11),12-diene-28-oic acid methyl ester
Common Name: 2alpha,3beta-Dihydroxyoleana-9(11),12-diene-28-oic acid methyl ester
Synonyms: 2alpha,3beta-Dihydroxyoleana-9(11),12-diene-28-oic acid methyl ester
CAS Registry Number:
InChI: InChI=1S/C31H48O4/c1-26(2)13-15-31(25(34)35-8)16-14-29(6)19(20(31)17-26)9-10-23-28(5)18-21(32)24(33)27(3,4)22(28)11-12-30(23,29)7/h9-10,20-22,24,32-33H,11-18H2,1-8H3/t20-,21+,22-,24-,28-,29+,30+,31-/m0/s1
InChIKey: InChIKey=WWTLTLBVTDQBSG-CQQBXTOMSA-N
Formula: C31H48O4
Molecular Weight: 484.711589
Exact Mass: 484.35526
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Garcia-Granados, A., Lopez, P.E., Melguizo, E., Parra, A., Simeo, Y. Tetrahedron (2004) 60, 1491-503
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Oleananes; 13 C Spectrum from Naproc 13: José Luis López-Pérez, Roberto Therón, Esther del Olmo, David Díaz: NAPROC-13: a database for the dereplication of natural product mixtures in bioassay-guided protocols. Bioinformatics 23(23):3256-3257 (2007)
Carbon NMR Peaks
| Position | PPM |
|---|---|
| 1 (CH2) | 45.1 |
| 2 (CH) | 69.5 |
| 3 (CH) | 83.6 |
| 4 (C) | 39.1 |
| 5 (CH) | 51.3 |
| 6 (CH2) | 18.3 |
| 7 (CH2) | 32.1 |
| 8 (C) | 40 |
| 9 (C) | 153.4 |
| 10 (C) | 40.8 |
| 11 (CH) | 116 |
| 12 (CH) | 120.5 |
| 13 (C) | 145.5 |
| 14 (C) | 42.3 |
| 15 (CH2) | 26.9 |
| 16 (CH2) | 23.8 |
| 17 (C) | 46.1 |
| 18 (CH) | 39.7 |
| 19 (CH2) | 45.9 |
| 20 (C) | 30.7 |
| 21 (CH2) | 33.8 |
| 22 (CH2) | 32.2 |
| 23 (CH3) | 28.8 |
| 24 (CH3) | 16.9 |
| 25 (CH3) | 26.1 |
| 26 (CH3) | 20.3 |
| 27 (CH3) | 20.4 |
| 28 (C) | 178.4 |
| 29 (CH3) | 33 |
| 30 (CH3) | 23.7 |
| 28a (CH3) | 51.8 |
