Spektraris NMR
3,4-seco-oleana-4(23),18-dien-3-oic acid
Common Name: 3,4-seco-oleana-4(23),18-dien-3-oic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H48O2/c1-20(2)21-11-14-30(8)24(28(21,6)13-12-25(31)32)10-9-22-23-19-26(3,4)15-16-27(23,5)17-18-29(22,30)7/h19,21-22,24H,1,9-18H2,2-8H3,(H,31,32)/t21-,22+,24+,27+,28-,29+,30+/m0/s1
InChIKey: InChIKey=JWLBCLQJRRIXIW-KHQZTXFYSA-N
Formula: C30H48O2
Molecular Weight: 440.702043
Exact Mass: 440.365431
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Tanaka, R., Ida, T., Takaoka, Y., Kita, S., Kamisako, W., Matsunaga, S. Phytochemistry (1994) 36, 129-32
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) | 34.2 |
| 2 (CH2) | 26.1 |
| 3 (C) | 180.9 |
| 4 (C) | 147.5 |
| 5 (CH) | 50.3 |
| 6 (CH2) | 28.7 |
| 7 (CH2) | 33 |
| 8 (C) | 40.3 |
| 9 (CH) | 41.3 |
| 10 (C) | 39.3 |
| 11 (CH2) | 21.6 |
| 12 (CH2) | 24.5 |
| 13 (CH) | 38.5 |
| 14 (C) | 43.7 |
| 15 (CH2) | 27.5 |
| 16 (CH2) | 37.6 |
| 17 (C) | 34.3 |
| 18 (C) | 142.6 |
| 19 (CH) | 129.9 |
| 20 (C) | 32.4 |
| 21 (CH2) | 33.3 |
| 22 (CH2) | 37.4 |
| 23 (CH2) | 113.6 |
| 24 (CH3) | 23.2 |
| 25 (CH3) | 20.7 |
| 26 (CH3) | 16.3 |
| 27 (CH3) | 14.6 |
| 28 (CH3) | 25.3 |
| 29 (CH3) | 31.4 |
| 30 (CH3) | 29.2 |
