Spektraris NMR
Austarlin A
Common Name: Austarlin A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H36O6/c1-12(2)14-7-10-22(6,28-13(3)23)18-15(24)11-21(5,26)16-8-9-20(4,25)19(27-16)17(14)18/h12,14,16-19,25-26H,7-11H2,1-6H3/t14-,16-,17-,18-,19-,20-,21-,22-/m1/s1
InChIKey: InChIKey=CKMZLJUYJFHCKF-MOERMCBMSA-N
Formula: C22H36O6
Molecular Weight: 396.518486
Exact Mass: 396.251189
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Ahmed, A.F., Wu, M.H., Wang, G.H., Wu, Y.C., Sheu, J.H. J Nat Prod (2005) 68, 1051-5
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) | 49.4 |
| 2 (CH) | 75.8 |
| 3 (C) | 69.5 |
| 4 (CH2) | 33.5 |
| 5 (CH2) | 20.2 |
| 6 (CH) | 79.9 |
| 7 (C) | 85.6 |
| 8 (CH2) | 49.8 |
| 9 (C) | 212.3 |
| 10 (CH) | 53.6 |
| 11 (C) | 83.8 |
| 12 (CH2) | 32 |
| 13 (CH2) | 19.4 |
| 14 (CH) | 35.7 |
| 15 (CH3) | 30.2 |
| 16 (CH3) | 22.9 |
| 17 (CH3) | 22.4 |
| 18 (CH) | 26.9 |
| 19 (CH3) | 21.6 |
| 20 (CH3) | 14.4 |
| 11a (C) | 170.7 |
| 11b (CH3) | 22.6 |
