Spektraris NMR
Manaarenolide A
Common Name: Manaarenolide A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H32O6/c1-12-5-6-16-20(4,25-16)10-7-14-11-17(24-18(21)13(14)2)19(3,22)9-8-15(12)26-23/h13-17,22-23H,1,5-11H2,2-4H3/t13-,14+,15+,16+,17+,19-,20-/m0/s1
InChIKey: InChIKey=LTTQHIVHWORRDE-PKEZZEJYSA-N
Formula: C20H32O6
Molecular Weight: 368.465252
Exact Mass: 368.219889
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Su, J.H., Ahmed, A.F., Sung, P.J., Chao, C.H., Kuo, Y.H., Sheu, J.H. J Nat Prod (2006) 69, 1134-9
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Cembranes; 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) | 38 |
| 2 (CH2) | 27.2 |
| 3 (CH) | 83.2 |
| 4 (C) | 73 |
| 5 (CH2) | 30.7 |
| 6 (CH2) | 26.7 |
| 7 (CH) | 85.3 |
| 8 (C) | 142.5 |
| 9 (CH2) | 31.5 |
| 10 (CH2) | 24.9 |
| 11 (CH) | 63.6 |
| 12 (C) | 59.2 |
| 13 (CH2) | 34.4 |
| 14 (CH2) | 30.3 |
| 15 (CH) | 43 |
| 16 (C) | 174.5 |
| 17 (CH3) | 17.1 |
| 18 (CH3) | 24.5 |
| 19 (CH2) | 114.2 |
| 20 (CH3) | 15.7 |
