Spektraris NMR
Dimethyl-3b-hydroxy-D:A-friedo-oleanan-27,29-dicarboxylate
Common Name: Dimethyl-3b-hydroxy-D:A-friedo-oleanan-27,29-dicarboxylate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H52O5/c1-20-21(33)9-10-22-29(20,4)12-11-23-30(22,5)16-18-32(26(35)37-8)24-19-28(3,25(34)36-7)14-13-27(24,2)15-17-31(23,32)6/h20-24,33H,9-19H2,1-8H3/t20-,21-,22+,23-,24+,27+,28-,29+,30-,31+,32-/m0/s1
InChIKey: InChIKey=OIGZAIUGPDINLQ-QYETUVHTSA-N
Formula: C32H52O5
Molecular Weight: 516.753493
Exact Mass: 516.381475
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Gibbons, S., Gray, A.I., Hockless, D.C.R., Lavaud, C., Nuzillard, J.M., Massiot, G., Waterman, P.G., White, A.H. Phytochemistry (1993) 34, 273-7
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Friedelanes; 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) | 17.9 |
| 2 (CH2) | 35.4 |
| 3 (CH) | 72.1 |
| 4 (CH) | 48.9 |
| 5 (C) | 37.9 |
| 6 (CH2) | 41.4 |
| 7 (CH2) | 15.8 |
| 8 (CH) | 52.6 |
| 9 (C) | 37.3 |
| 10 (CH) | 61.1 |
| 11 (CH2) | 37.5 |
| 12 (CH2) | 27.4 |
| 13 (C) | 54.3 |
| 14 (C) | 39.2 |
| 15 (CH2) | 33.3 |
| 16 (CH2) | 36.7 |
| 17 (C) | 30.2 |
| 18 (CH) | 42.2 |
| 19 (CH2) | 31.6 |
| 20 (C) | 40.6 |
| 21 (CH2) | 28.6 |
| 22 (CH2) | 35 |
| 23 (CH3) | 11.6 |
| 24 (CH3) | 16.4 |
| 25 (CH3) | 18 |
| 26 (CH3) | 23.1 |
| 27 (C) | 119.6 |
| 28 (CH3) | 30 |
| 29 (C) | 179.5 |
| 30 (CH3) | 32 |
| 27a (CH3) | 51.9 |
| 29a (CH3) | 50.7 |
