Spektraris NMR
Cladocoran B
Common Name: Cladocoran B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H38O4/c1-16(2)8-6-12-24(4)13-7-9-20-19(24)11-10-17(3)25(20,5)15-21(26)18-14-22(27)29-23(18)28/h9,14,17,19,21,23,26,28H,1,6-8,10-13,15H2,2-5H3/t17-,19+,21-,23?,24+,25+/m1/s1
InChIKey: InChIKey=BSCXBLSTGMUDKH-GLHFMLLVSA-N
Formula: C25H38O4
Molecular Weight: 402.567766
Exact Mass: 402.27701
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) | 38.8 |
| 2 (CH2) | 21.3 |
| 3 (CH2) | 38.3 |
| 4 (C) | 146.8 |
| 5 (CH2) | 29 |
| 6 (CH2) | 22.7 |
| 7 (CH) | 119.7 |
| 8 (C) | 143.4 |
| 9 (CH) | 43.5 |
| 10 (C) | 33.9 |
| 11 (CH2) | 29.3 |
| 12 (CH2) | 31.2 |
| 13 (CH) | 44.8 |
| 14 (C) | 42.6 |
| 15 (CH2) | 37.1 |
| 16 (CH) | 66.4 |
| 17 (C) | 170 |
| 18 (CH) | 117.2 |
| 19 (C) | 171 |
| 20 (CH2) | 109.8 |
| 21 (CH3) | 22.3 |
| 22 (CH3) | 23.7 |
| 23 (CH3) | 25.7 |
| 24 (CH3) | 16.4 |
| 25 (CH) | 97.1 |
