Spektraris NMR
Petasone B
Common Name: Petasone B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C19H26O4S/c1-12(2)15-11-19(4)13(3)17(7-6-14(19)10-16(15)20)23-18(21)8-9-24(5)22/h8-10,13,17H,6-7,11H2,1-5H3/b9-8+/t13-,17+,19+,24?/m0/s1
InChIKey: InChIKey=GJJOCUQOAXECJY-GIMDOYSESA-N
Formula: C19H26O4S1
Molecular Weight: 350.474146
Exact Mass: 350.15518
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Lin, Y.L., Mei, C.H., Huang, S.L., Kuo, Y.H. J Nat Prod (1998) 61, 887-90
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Eremophilanes; 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) | 29.9 |
| 2 (CH2) | 31.4 |
| 3 (CH) | 75.1 |
| 4 (CH) | 45.9 |
| 5 (C) | 42.1 |
| 6 (CH2) | 41.1 |
| 7 (C) | 126.9 |
| 8 (C) | 191.5 |
| 9 (CH) | 126.9 |
| 10 (C) | 164.4 |
| 11 (C) | 143.7 |
| 12 (CH3) | 22.6 |
| 13 (CH3) | 22.1 |
| 14 (CH3) | 17.1 |
| 15 (CH3) | 10.7 |
| 3b (C) | 163.4 |
| 3c (CH) | 126 |
| 3d (CH) | 151.1 |
| 3e (CH3) | 39.7 |
