Spektraris NMR
Epoxycladine D
Common Name: Epoxycladine D
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C24H36O7/c1-11(2)17-18-19(24(7)22(31-24)20(17)28-13(4)25)16-10-12(3)15(27)8-9-23(6,21(18)29-16)30-14(5)26/h11,15-22,27H,3,8-10H2,1-2,4-7H3/t15-,16+,17+,18+,19+,20-,21+,22+,23+,24-/m0/s1
InChIKey: InChIKey=PYYLRDDIIGKXSG-ZYDLNQMNSA-N
Formula: C24H36O7
Molecular Weight: 436.539363
Exact Mass: 436.246104
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 |
| 2 (CH) | 88.8 |
| 3 (C) | 84.5 |
| 4 (CH2) | 27.5 |
| 5 (CH2) | 29.3 |
| 6 (CH) | 86 |
| 7 (C) | 146.2 |
| 8 (CH2) | 42 |
| 9 (CH) | 80.2 |
| 10 (CH) | 42 |
| 11 (C) | 58.1 |
| 12 (CH) | 62.3 |
| 13 (CH) | 72.1 |
| 14 (CH) | 39.4 |
| 15 (CH3) | 21.6 |
| 16 (CH2) | 117.3 |
| 17 (CH3) | 23.8 |
| 18 (CH) | 26.7 |
| 19 (CH3) | 16.3 |
| 20 (CH3) | 24.3 |
| 3a (C) | 169.6 |
| 3b (CH3) | 22.5 |
| 13a (C) | 170.8 |
| 13b (CH3) | 21.5 |
