Spektraris NMR
(14R)-ent-Isocopal-13(16)-en-15-oic acid
Common Name: (14R)-ent-Isocopal-13(16)-en-15-oic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H32O2/c1-13-7-8-15-19(4)11-6-10-18(2,3)14(19)9-12-20(15,5)16(13)17(21)22/h14-16H,1,6-12H2,2-5H3,(H,21,22)/t14-,15+,16-,19-,20+/m0/s1
InChIKey: InChIKey=NDMAGANUFZLRSB-STNJDDFNSA-N
Formula: C20H32O2
Molecular Weight: 304.467632
Exact Mass: 304.24023
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Gavagnin, M., Ungur, N., Castelluccio, F., Muniain, C., Cimino, G. J Nat Prod (1999) 62, 269-74
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Isocopalanes; 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) | 40 |
| 2 (CH2) | 18.5 |
| 3 (CH2) | 42 |
| 4 (C) | 33.3 |
| 5 (CH) | 56.7 |
| 6 (CH2) | 18.6 |
| 7 (CH2) | 40.4 |
| 8 (C) | 39.6 |
| 9 (CH) | 59.2 |
| 10 (C) | 37.8 |
| 11 (CH2) | 22.1 |
| 12 (CH2) | 36.1 |
| 13 (C) | 143.1 |
| 14 (CH) | 63.1 |
| 15 (C) | 177.2 |
| 16 (CH2) | 108.3 |
| 17 (CH3) | 14.9 |
| 18 (CH3) | 33.4 |
| 19 (CH3) | 21.5 |
| 20 (CH3) | 16.2 |
