Spektraris NMR
Phlogacantholide C
Common Name: Phlogacantholide C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H28O4/c1-11-16-14(24-18(11)23)9-13-12(17(16)22)5-6-15-19(2,10-21)7-4-8-20(13,15)3/h14-15,17,21-22H,4-10H2,1-3H3/t14-,15-,17-,19+,20+/m1/s1
InChIKey: InChIKey=YTFCPUQQLYHDRF-CTZQRVGRSA-N
Formula: C20H28O4
Molecular Weight: 332.434679
Exact Mass: 332.198759
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Yuan, X.H., Li, B.G., Zhang, X.Y., Qi, H.Y., Zhou, M., Zhang, G.L. J Nat Prod (2005) 68, 86-9
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Abietanes; 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) | 37.2 |
| 2 (CH2) | 20 |
| 3 (CH2) | 37 |
| 4 (C) | 40.3 |
| 5 (CH) | 53.3 |
| 6 (CH2) | 20.3 |
| 7 (CH2) | 30.1 |
| 8 (C) | 130.4 |
| 9 (C) | 139.6 |
| 10 (C) | 39.5 |
| 11 (CH2) | 34.7 |
| 12 (CH) | 77.9 |
| 13 (C) | 163.5 |
| 14 (CH) | 64.9 |
| 15 (C) | 121.6 |
| 16 (C) | 176.4 |
| 17 (CH3) | 9.8 |
| 18 (CH3) | 28.9 |
| 19 (CH2) | 65.2 |
| 20 (CH3) | 20.8 |
