Spektraris NMR
3,16-Dioxo-olean-18-ene
Common Name: 3,16-Dioxo-olean-18-ene
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H46O2/c1-25(2)15-16-27(5)20(17-25)19-9-10-22-28(6)13-12-23(31)26(3,4)21(28)11-14-29(22,7)30(19,8)18-24(27)32/h17,19,21-22H,9-16,18H2,1-8H3/t19-,21+,22-,27+,28+,29-,30-/m1/s1
InChIKey: InChIKey=LMKBVLMOGXSXES-GSVYLOGMSA-N
Formula: C30H46O2
Molecular Weight: 438.686161
Exact Mass: 438.349781
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Gonzalez A.G., Fraga B.M., Gonzalez P., Hernandez M.G., Ravelo A. Phytochemistry (1981) 20, 1919
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) | 39.7 |
| 2 (CH2) | 33.9 |
| 3 (C) | 217.8 |
| 4 (C) | 47.1 |
| 5 (CH) | 54.6 |
| 6 (CH2) | 19.6 |
| 7 (CH2) | 33.9 |
| 8 (C) | 40.3 |
| 9 (CH) | 49.8 |
| 10 (C) | 36.9 |
| 11 (CH2) | 21.4 |
| 12 (CH2) | 26.1 |
| 13 (CH) | 38.5 |
| 14 (C) | 49.7 |
| 15 (CH2) | 45.3 |
| 16 (C) | 216.1 |
| 17 (C) | 45 |
| 18 (C) | 139.8 |
| 19 (CH) | 132.9 |
| 20 (C) | 32.2 |
| 21 (CH2) | 32.6 |
| 22 (CH2) | 28 |
| 23 (CH3) | 25.8 |
| 24 (CH3) | 20.9 |
| 25 (CH3) | 16.3 |
| 26 (CH3) | 16.5 |
| 27 (CH3) | 14.9 |
| 28 (CH3) | 27 |
| 29 (CH3) | 31.2 |
| 30 (CH3) | 28.7 |
