Spektraris NMR
1a,2a-Epoxy-3-oxo-olean-18-ene
Common Name: 1a,2a-Epoxy-3-oxo-olean-18-ene
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H46O2/c1-25(2)13-14-27(5)15-16-28(6)18(19(27)17-25)9-10-21-29(28,7)12-11-20-26(3,4)23(31)22-24(32-22)30(20,21)8/h17-18,20-22,24H,9-16H2,1-8H3/t18-,20+,21+,22+,24+,27-,28-,29-,30+/m1/s1
InChIKey: InChIKey=SWPYDSIFRAHHTM-GVIVUYGKSA-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 (CH) | 56.9 |
| 2 (CH) | 63.9 |
| 3 (C) | 212.5 |
| 4 (C) | 44.7 |
| 5 (CH) | 45.8 |
| 6 (CH2) | 18.9 |
| 7 (CH2) | 33.8 |
| 8 (C) | 41.1 |
| 9 (CH) | 44.1 |
| 10 (C) | 38.5 |
| 11 (CH2) | 22.1 |
| 12 (CH2) | 26.6 |
| 13 (CH) | 38.5 |
| 14 (C) | 43.4 |
| 15 (CH2) | 27.6 |
| 16 (CH2) | 37.6 |
| 17 (C) | 34.4 |
| 18 (C) | 142.3 |
| 19 (CH) | 130 |
| 20 (C) | 32.3 |
| 21 (CH2) | 33.7 |
| 22 (CH2) | 37.4 |
| 23 (CH3) | 27.8 |
| 24 (CH3) | 20.8 |
| 25 (CH3) | 15.8 |
| 26 (CH3) | 16.6 |
| 27 (CH3) | 14.4 |
| 28 (CH3) | 25.3 |
| 29 (CH3) | 31.3 |
| 30 (CH3) | 29.3 |
