Spektraris NMR
Epoxycladine A
Common Name: Epoxycladine A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C24H38O8/c1-11(2)16-17-18(24(7)21(32-24)19(16)29-12(3)25)14-10-22(5,28)15(27)8-9-23(6,20(17)30-14)31-13(4)26/h11,14-21,27-28H,8-10H2,1-7H3/t14-,15+,16-,17-,18-,19+,20-,21+,22+,23-,24-/m1/s1
InChIKey: InChIKey=VOALFGMUEOTIDZ-WLSPUAMKSA-N
Formula: C24H38O8
Molecular Weight: 454.55465
Exact Mass: 454.256668
NMR Solvent: C6D6
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 |
| 2 (CH) | 89.7 |
| 3 (C) | 86 |
| 4 (CH2) | 33.2 |
| 5 (CH2) | 30.6 |
| 6 (CH) | 77.3 |
| 7 (C) | 75.5 |
| 8 (CH2) | 47 |
| 9 (CH) | 77.3 |
| 10 (CH) | 47.7 |
| 11 (C) | 58.9 |
| 12 (CH) | 60.9 |
| 13 (CH) | 70.8 |
| 14 (CH) | 39.8 |
| 15 (CH3) | 22.9 |
| 16 (CH3) | 22.9 |
| 17 (CH3) | 21.9 |
| 18 (CH) | 29.5 |
| 19 (CH3) | 16.2 |
| 20 (CH3) | 22.9 |
| 3a (C) | 169.6 |
| 3b (CH3) | 20.4 |
| 13a (C) | 168.1 |
| 13b (CH3) | 21.3 |
