Spektraris NMR
S-petasin
Common Name: S-petasin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C19H26O3S/c1-12(2)15-11-19(4)13(3)17(22-18(21)8-9-23-5)7-6-14(19)10-16(15)20/h8-10,13,15,17H,1,6-7,11H2,2-5H3/b9-8-/t13-,15-,17+,19+/m0/s1
InChIKey: InChIKey=OHANKWLYFDFHOJ-RFTFGCRPSA-N
Formula: C19H26O3S1
Molecular Weight: 334.474741
Exact Mass: 334.160265
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Sugama, K., Hayashi, K., Nakagawa, T., Mitsuhashi, H., Yoshida, N. Phytochemistry (1983) 22, 1619-22
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) | 30.8 |
| 2 (CH2) | 31.9 |
| 3 (CH) | 73.1 |
| 4 (CH) | 50.5 |
| 5 (C) | 40.2 |
| 6 (CH2) | 41.9 |
| 7 (CH) | 47.5 |
| 8 (C) | 198.2 |
| 9 (CH) | 124.5 |
| 10 (C) | 166.1 |
| 11 (C) | 143.3 |
| 12 (CH3) | 19.5 |
| 13 (CH2) | 144.3 |
| 14 (CH3) | 17.4 |
| 15 (CH3) | 10.6 |
| 3a (C) | 166.6 |
| 3b (CH) | 112.9 |
| 3c (CH) | 152.4 |
| 3d (CH3) | 20.3 |
