Spektraris NMR
Excoecarin D
Common Name: Excoecarin D
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H30O3/c1-16-5-3-15-18(11-16,8-7-16)6-4-14-17(2,12-21)20(22)10-9-19(14,15)13-23-20/h7-8,14-15,21-22H,3-6,9-13H2,1-2H3/t14-,15-,16-,17-,18+,19+,20+/m0/s1
InChIKey: InChIKey=KRECXXWNFIDIMT-MQOFPFBISA-N
Formula: C20H30O3
Molecular Weight: 318.451155
Exact Mass: 318.219495
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Konishi, T., Konoshima, T., Fujiwara, Y., Kiyosawa, S. J Nat Prod (2000) 63, 344-6
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Beyeranes; 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) | 32.4 |
| 2 (CH2) | 30.1 |
| 3 (C) | 98 |
| 4 (C) | 43.9 |
| 5 (CH) | 47.3 |
| 6 (CH2) | 21.1 |
| 7 (CH2) | 35.5 |
| 8 (C) | 48.4 |
| 9 (CH) | 45.6 |
| 10 (C) | 34.7 |
| 11 (CH2) | 21.8 |
| 12 (CH2) | 32.4 |
| 13 (C) | 44 |
| 14 (CH2) | 60.2 |
| 15 (CH) | 132.9 |
| 16 (CH) | 137.5 |
| 17 (CH3) | 24.6 |
| 18 (CH2) | 70.7 |
| 19 (CH3) | 12.9 |
| 20 (CH2) | 67.2 |
