Spektraris NMR
4-Oxo-3-nor-2,4-secofriedelane-2-oic acid
Common Name: 4-Oxo-3-nor-2,4-secofriedelane-2-oic acid
Synonyms: 4-Oxo-3-nor-2,4-secofriedelane-2-oic acid
CAS Registry Number:
InChI: InChI=1S/C29H48O3/c1-19(30)26(5)10-9-20-27(6,21(26)17-23(31)32)14-16-29(8)22-18-24(2,3)11-12-25(22,4)13-15-28(20,29)7/h20-22H,9-18H2,1-8H3,(H,31,32)/t20-,21+,22+,25+,26+,27+,28+,29-/m0/s1
InChIKey: InChIKey=PBRRQRYVRNSVBF-BCNFPARNSA-N
Formula: C29H48O3
Molecular Weight: 444.690712
Exact Mass: 444.360345
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Moiteiro, C., Manta, C., Justino, F., Tavares, R., Curto, M.J., Pedro, M., Nascimento, M.S., Pinto, M. J Nat Prod (2004) 67, 1193-6
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Friedelanes; 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) | 32.9 |
| 2 (C) | 178.2 |
| 4 (C) | 213.9 |
| 5 (C) | 53.4 |
| 6 (CH2) | 37.5 |
| 7 (CH2) | 17.5 |
| 8 (CH) | 52.5 |
| 9 (C) | 38.2 |
| 10 (CH) | 49.8 |
| 11 (CH2) | 34.4 |
| 12 (CH2) | 29.9 |
| 13 (C) | 39.6 |
| 14 (C) | 38.3 |
| 15 (CH2) | 32.3 |
| 16 (CH2) | 35.9 |
| 17 (C) | 29.9 |
| 18 (CH) | 42.8 |
| 19 (CH2) | 35.3 |
| 20 (C) | 28.1 |
| 21 (CH2) | 32.8 |
| 22 (CH2) | 39.2 |
| 23 (CH3) | 25.3 |
| 24 (CH3) | 17.6 |
| 25 (CH3) | 17.8 |
| 26 (CH3) | 20.2 |
| 27 (CH3) | 18.7 |
| 28 (CH3) | 32.1 |
| 29 (CH3) | 31.8 |
| 30 (CH3) | 34.9 |
