Spektraris NMR
Excoecarin V3
Common Name: Excoecarin V3
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H32O3/c1-13(2)15-6-10-20-9-5-14(19(4,23)12-20)11-16(20)18(15,3)8-7-17(21)22/h14-16,23H,1,5-12H2,2-4H3,(H,21,22)/t14-,15+,16-,18+,19-,20+/m0/s1
InChIKey: InChIKey=IPQYREFAGRPQPJ-YDMLNEHTSA-N
Formula: C20H32O3
Molecular Weight: 320.467037
Exact Mass: 320.235145
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Wang, J.D., Li, Z.Y., Guo, Y.W. Helv Chim Acta (2005) 88, 979-85
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Atisanes; 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) | 32.8 |
| 2 (CH2) | 27.6 |
| 3 (C) | 177.6 |
| 4 (C) | 147.5 |
| 5 (CH) | 50.5 |
| 6 (CH2) | 24.5 |
| 7 (CH2) | 38 |
| 8 (C) | 33.5 |
| 9 (CH) | 42 |
| 10 (C) | 39.4 |
| 11 (CH2) | 23.2 |
| 12 (CH) | 37.7 |
| 13 (CH2) | 23.8 |
| 14 (CH2) | 26.7 |
| 15 (CH2) | 56.2 |
| 16 (C) | 73.3 |
| 17 (CH3) | 30.2 |
| 18 (CH3) | 23.6 |
| 19 (CH2) | 113.2 |
| 20 (CH3) | 17.8 |
