Spektraris NMR
3,15-Dioxo-olean-12-ene
Common Name: 3,15-Dioxo-olean-12-ene
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H46O2/c1-25(2)15-16-27(5)18-24(32)30(8)19(20(27)17-25)9-10-22-28(6)13-12-23(31)26(3,4)21(28)11-14-29(22,30)7/h9,20-22H,10-18H2,1-8H3/t20-,21-,22+,27+,28-,29+,30-/m0/s1
InChIKey: InChIKey=GMTDGQCLJJFHQC-DVYDXJQKSA-N
Formula: C30H46O2
Molecular Weight: 438.686161
Exact Mass: 438.349781
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Tanaka R., Tabuse M., Matsunaga S. Phytochemistry (1988) 27, 3563
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) | 39.4 |
| 2 (CH2) | 23.3 |
| 3 (C) | 217.4 |
| 4 (C) | 47.3 |
| 5 (CH) | 55.1 |
| 6 (CH2) | 19.5 |
| 7 (CH2) | 34.1 |
| 8 (C) | 40.5 |
| 9 (CH) | 47 |
| 10 (C) | 37.1 |
| 11 (CH2) | 23.3 |
| 12 (CH) | 124.3 |
| 13 (C) | 142.6 |
| 14 (C) | 57.3 |
| 15 (C) | 216.1 |
| 16 (CH2) | 33.5 |
| 17 (C) | 34.5 |
| 18 (CH) | 48.7 |
| 19 (CH2) | 45.8 |
| 20 (C) | 31 |
| 21 (CH2) | 34.8 |
| 22 (CH2) | 35.8 |
| 23 (CH3) | 26.4 |
| 24 (CH3) | 15.3 |
| 25 (CH3) | 15.3 |
| 26 (CH3) | 17.3 |
| 27 (CH3) | 21.4 |
| 28 (CH3) | 29.4 |
| 29 (CH3) | 33.3 |
| 30 (CH3) | 23.4 |
