Spektraris NMR
Excoecarin V1
Common Name: Excoecarin V1
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H30O4/c1-16-5-3-14-18(10-16,8-7-16)6-4-13-17(2,11-21)20(23)15(22)9-19(13,14)12-24-20/h7-8,13-15,21-23H,3-6,9-12H2,1-2H3/t13-,14-,15+,16?,17-,18+,19+,20+/m0/s1
InChIKey: InChIKey=JVFZGJYTYHORIN-IEEMEGBCSA-N
Formula: C20H30O4
Molecular Weight: 334.45056
Exact Mass: 334.214409
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Konishi, T., Yamazoe, K., Kanzato, M., Konoshima, T., Fujiwara, Y. Chem Pharm Bull (2003) 51, 1142-6
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) | 43.3 |
| 2 (CH) | 66.7 |
| 3 (C) | 96.2 |
| 4 (C) | 43.3 |
| 5 (CH) | 44.8 |
| 6 (CH2) | 20.4 |
| 7 (CH2) | 35.2 |
| 8 (C) | 48.1 |
| 9 (CH) | 45 |
| 10 (C) | 34.3 |
| 11 (CH2) | 21.8 |
| 12 (CH2) | 32 |
| 13 (C) | 43.4 |
| 14 (CH2) | 59.8 |
| 15 (CH) | 133.4 |
| 16 (CH) | 136.5 |
| 17 (CH3) | 24.5 |
| 18 (CH2) | 65.1 |
| 19 (CH3) | 13.7 |
| 20 (CH2) | 67.3 |
