Spektraris NMR
4-Oxo-3-nor-2,4-secofriedelane-2-oic acid methyl ester
Common Name: 4-Oxo-3-nor-2,4-secofriedelane-2-oic acid methyl ester
Synonyms: 4-Oxo-3-nor-2,4-secofriedelane-2-oic acid methyl ester
CAS Registry Number:
InChI: InChI=1S/C30H50O3/c1-20(31)27(5)11-10-21-28(6,22(27)18-24(32)33-9)15-17-30(8)23-19-25(2,3)12-13-26(23,4)14-16-29(21,30)7/h21-23H,10-19H2,1-9H3/t21-,22+,23+,26+,27+,28+,29+,30-/m0/s1
InChIKey: InChIKey=KYCSVRIOLQNHQA-MZRSIZMESA-N
Formula: C30H50O3
Molecular Weight: 458.717329
Exact Mass: 458.375995
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) | 32.7 |
| 2 (C) | 174.6 |
| 4 (C) | 214.4 |
| 5 (C) | 53.6 |
| 6 (CH2) | 37.4 |
| 7 (CH2) | 17.5 |
| 8 (CH) | 52.6 |
| 9 (C) | 38.1 |
| 10 (CH) | 49.8 |
| 11 (CH2) | 34.3 |
| 12 (CH2) | 30.1 |
| 13 (C) | 39.7 |
| 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) | 28.2 |
| 21 (CH2) | 32.8 |
| 22 (CH2) | 39.2 |
| 23 (CH3) | 25.3 |
| 24 (CH3) | 17.6 |
| 25 (CH3) | 17.9 |
| 26 (CH3) | 20.2 |
| 27 (CH3) | 18.8 |
| 28 (CH3) | 32.1 |
| 29 (CH3) | 31.8 |
| 30 (CH3) | 35 |
| 2a (CH3) | 51.7 |
