Spektraris NMR
Patagonicol
Common Name: Patagonicol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H38O4/c1-7-25-17-10-11-21(5,23)20-19-15(13(2)3)9-8-14(4)18(19)16(26-20)12-22(17,6)24/h13,15-20,23-24H,4,7-12H2,1-3,5-6H3/t15-,16-,17+,18-,19-,20-,21-,22+/m1/s1
InChIKey: InChIKey=USQVENVWDCVTMS-KVZHUKPDSA-N
Formula: C22H38O4
Molecular Weight: 366.535558
Exact Mass: 366.27701
NMR Solvent: C6D6
MHz:
Calibration:
NMR references: 13C - Friedrich, D., Paquette, L.A. J Nat Prod (2002) 65, 126-30
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) | 45.3 |
| 2 (CH) | 91.1 |
| 3 (C) | 74.4 |
| 4 (CH2) | 40.9 |
| 5 (CH2) | 27.2 |
| 6 (CH) | 88.4 |
| 7 (C) | 76.1 |
| 8 (CH2) | 45.1 |
| 9 (CH) | 78.6 |
| 10 (CH) | 53.8 |
| 11 (C) | 148.4 |
| 12 (CH2) | 31.9 |
| 13 (CH2) | 25.2 |
| 14 (CH) | 44 |
| 15 (CH3) | 29.9 |
| 16 (CH3) | 24.8 |
| 17 (CH2) | 109.2 |
| 18 (CH) | 29.3 |
| 19 (CH3) | 15.7 |
| 20 (CH3) | 22.1 |
| 6a (CH2) | 64.8 |
| 6b (CH3) | 15.3 |
