Spektraris NMR
Phlogacantholide B diacetate
Common Name: Phlogacantholide B diacetate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C24H32O6/c1-13-20-18(30-22(13)27)11-17-16(21(20)29-15(3)26)7-8-19-23(4,12-28-14(2)25)9-6-10-24(17,19)5/h18-19,21H,6-12H2,1-5H3/t18-,19-,21+,23+,24+/m1/s1
InChIKey: InChIKey=AMSYBMMUEQADOI-ZPKWPDFVSA-N
Formula: C24H32O6
Molecular Weight: 416.508195
Exact Mass: 416.219889
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) | 35.6 |
| 2 (CH2) | 18.4 |
| 3 (CH2) | 36.1 |
| 4 (C) | 37.1 |
| 5 (CH) | 52 |
| 6 (CH2) | 18.5 |
| 7 (CH2) | 28.4 |
| 8 (C) | 125.7 |
| 9 (C) | 141 |
| 10 (C) | 38.6 |
| 11 (CH2) | 32.7 |
| 12 (CH) | 77.9 |
| 13 (C) | 156.2 |
| 14 (CH) | 70.4 |
| 15 (C) | 121.3 |
| 16 (C) | 174.3 |
| 17 (CH3) | 8.7 |
| 18 (CH3) | 27.4 |
| 19 (CH2) | 67.1 |
| 20 (CH3) | 19.6 |
| 14a (C) | 170.6 |
| 14b (CH3) | 20.8 |
| 19a (C) | 171.5 |
| 19b (CH3) | 21.2 |
