Spektraris NMR
S-Petasitin
Common Name: S-Petasitin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C19H26O4S/c1-12-16(23-17(21)8-9-24-5)7-6-13-10-15(20)14(18(2,3)22)11-19(12,13)4/h8-12,16,22H,6-7H2,1-5H3/b9-8-/t12-,16+,19+/m0/s1
InChIKey: InChIKey=SMMJMIYMTKDUOP-UIWQCLFSSA-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) | 30.1 |
| 2 (CH2) | 32.7 |
| 3 (CH) | 72.7 |
| 4 (CH) | 44.5 |
| 5 (C) | 43 |
| 6 (CH) | 147.8 |
| 7 (C) | 141.3 |
| 8 (C) | 187.6 |
| 9 (CH) | 125.2 |
| 10 (C) | 166.2 |
| 11 (C) | 71.8 |
| 12 (CH3) | 28.9 |
| 13 (CH3) | 29 |
| 14 (CH3) | 18.5 |
| 15 (CH3) | 11.7 |
| 3b (C) | 166.1 |
| 3c (CH) | 112.7 |
| 3d (CH) | 152.8 |
| 3e (CH3) | 19.2 |
