Spektraris NMR
Epoxycladine C
Common Name: Epoxycladine C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H34O6/c1-10(2)15-16-17(22(6)20(28-22)18(15)25)14-9-11(3)13(24)7-8-21(5,19(16)26-14)27-12(4)23/h10,13-20,24-25H,3,7-9H2,1-2,4-6H3/t13-,14+,15+,16+,17+,18-,19+,20+,21+,22-/m0/s1
InChIKey: InChIKey=DZASUZOOZNCFMS-ZSVBNSAGSA-N
Formula: C22H34O6
Molecular Weight: 394.502605
Exact Mass: 394.235539
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Chill, L., Berrer, N., Benayahu, Y., Kashman, Y. J Nat Prod (2005) 68, 19-25
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Eunicellanes; 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 (CH) | 42.3 |
| 2 (CH) | 88.8 |
| 3 (C) | 84.4 |
| 4 (CH2) | 27.4 |
| 5 (CH2) | 29.5 |
| 6 (CH) | 85.9 |
| 7 (C) | 146.2 |
| 8 (CH2) | 41.9 |
| 9 (CH) | 79.9 |
| 10 (CH) | 41.8 |
| 11 (C) | 58.9 |
| 12 (CH) | 65.8 |
| 13 (CH) | 69.7 |
| 14 (CH) | 43.1 |
| 15 (CH3) | 21.6 |
| 16 (CH2) | 117.2 |
| 17 (CH3) | 24 |
| 18 (CH) | 27 |
| 19 (CH3) | 16.2 |
| 20 (CH3) | 25 |
| 3a (C) | 170 |
| 3b (CH3) | 22.5 |
