Spektraris NMR
3-Oxo-olean-1,18-diene
Common Name: 3-Oxo-olean-1,18-diene
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H46O/c1-25(2)15-16-27(5)17-18-29(7)20(21(27)19-25)9-10-23-28(6)13-12-24(31)26(3,4)22(28)11-14-30(23,29)8/h12-13,19-20,22-23H,9-11,14-18H2,1-8H3/t20-,22+,23-,27-,28+,29-,30-/m1/s1
InChIKey: InChIKey=OZDCCQLZDBFINH-YZGSOOAFSA-N
Formula: C30H46O1
Molecular Weight: 422.686757
Exact Mass: 422.354866
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 (CH) | 159.8 |
| 2 (CH) | 125.2 |
| 3 (C) | 205 |
| 4 (C) | 44.6 |
| 5 (CH) | 53.8 |
| 6 (CH2) | 19.9 |
| 7 (CH2) | 34.1 |
| 8 (C) | 39.5 |
| 9 (CH) | 45.2 |
| 10 (C) | 41.6 |
| 11 (CH2) | 21.4 |
| 12 (CH2) | 26.1 |
| 13 (CH) | 38.6 |
| 14 (C) | 43.5 |
| 15 (CH2) | 27.5 |
| 16 (CH2) | 37.6 |
| 17 (C) | 34.3 |
| 18 (C) | 142.3 |
| 19 (CH) | 129.9 |
| 20 (C) | 32.3 |
| 21 (CH2) | 33.3 |
| 22 (CH2) | 37.4 |
| 23 (CH3) | 27.8 |
| 24 (CH3) | 21.4 |
| 25 (CH3) | 19 |
| 26 (CH3) | 16.7 |
| 27 (CH3) | 14.7 |
| 28 (CH3) | 25.3 |
| 29 (CH3) | 31.3 |
| 30 (CH3) | 29.2 |
