Spektraris NMR
Cladocoran A
Common Name: Cladocoran A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C27H40O5/c1-17(2)9-7-13-26(5)14-8-10-22-21(26)12-11-18(3)27(22,6)16-23(31-19(4)28)20-15-24(29)32-25(20)30/h10,15,18,21,23,25,30H,1,7-9,11-14,16H2,2-6H3/t18-,21+,23-,25?,26+,27+/m1/s1
InChIKey: InChIKey=LUZPPGGVQBQOEH-GNAIDZQBSA-N
Formula: C27H40O5
Molecular Weight: 444.604524
Exact Mass: 444.287574
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Fontana, A., Ciavatta, M.L., Cimino, G. J Org Chem (1998) 63, 2845-9
Species:
Notes: Family : Terpenoids, Type : Sesterterpenoids, Group : Bicarbocyclics; 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) | 39.2 |
| 2 (CH2) | 21.5 |
| 3 (CH2) | 38.3 |
| 4 (C) | 146.9 |
| 5 (CH2) | 29.3 |
| 6 (CH2) | 22.9 |
| 7 (CH) | 120.5 |
| 8 (C) | 143.3 |
| 9 (CH) | 44.1 |
| 10 (C) | 34.1 |
| 11 (CH2) | 29.7 |
| 12 (CH2) | 31.3 |
| 13 (CH) | 44.7 |
| 14 (C) | 42.8 |
| 15 (CH2) | 34.7 |
| 16 (CH) | 67.5 |
| 17 (C) | 168.4 |
| 18 (CH) | 118.4 |
| 19 (C) | 169 |
| 20 (CH2) | 109.5 |
| 21 (CH3) | 22.4 |
| 22 (CH3) | 23.3 |
| 23 (CH3) | 24.7 |
| 24 (CH3) | 16.4 |
| 25 (CH) | 97.5 |
| 16a (C) | 171 |
| 16b (CH3) | 20.9 |
