Spektraris NMR
Tyrinnal
Common Name: Tyrinnal
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C24H36O6/c1-15(26)28-13-17-14-29-21(30-16(2)27)20(17)24(6)11-8-18-22(3,4)9-7-10-23(18,5)19(24)12-25/h12,14,18-21H,7-11,13H2,1-6H3/t18-,19+,20-,21+,23-,24+/m0/s1
InChIKey: InChIKey=DZBCZSZEQBKIOE-SQPSSPNNSA-N
Formula: C24H36O6
Molecular Weight: 420.539958
Exact Mass: 420.251189
NMR Solvent: C6D6
MHz:
Calibration:
NMR references: 13C - Fontana, A., Muniain, C., Cimino, G. J Nat Prod (1998) 61, 1027-9
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Spongianes; 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) | 40.8 |
| 2 (CH2) | 18.4 |
| 3 (CH2) | 41.4 |
| 4 (C) | 33.7 |
| 5 (CH) | 55.5 |
| 6 (CH2) | 18.2 |
| 7 (CH2) | 36.4 |
| 8 (C) | 39.9 |
| 9 (CH) | 66.4 |
| 10 (C) | 39.6 |
| 11 (CH) | 205.4 |
| 12 (CH2) | 60 |
| 13 (C) | 111.7 |
| 14 (CH) | 59.8 |
| 15 (CH) | 100.1 |
| 16 (CH) | 147.3 |
| 17 (CH3) | 21.7 |
| 18 (CH3) | 33.1 |
| 19 (CH3) | 17.8 |
| 20 (CH3) | 21.7 |
| 12a (C) | 171.4 |
| 12b (CH3) | 21.7 |
| 15a (C) | 169.7 |
| 15b (CH3) | 21.7 |
