Spektraris NMR
Sulfocostunolide A
Common Name: Sulfocostunolide A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H20O5S/c1-8-3-6-11-12(7-21(17,18)19)15(16)20-14(11)13-9(2)4-5-10(8)13/h10-14H,1-7H2,(H,17,18,19)/t10-,11-,12-,13-,14-/m0/s1
InChIKey: InChIKey=IDSMFDGIKYVJPL-PEDHHIEDSA-N
Formula: C15H20O5S1
Molecular Weight: 312.382963
Exact Mass: 312.103144
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Wang, F., Xie, Z.H., Gao, Y., Xu, Y., Cheng, X.L., Liu, J.K. Chem Pharm Bull (2008) 56, 864-5
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Guaianes; 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) | 48.1 |
| 2 (CH2) | 31.1 |
| 3 (CH2) | 33.5 |
| 4 (C) | 153.8 |
| 5 (CH) | 53.1 |
| 6 (CH) | 88 |
| 7 (CH) | 47.6 |
| 8 (CH2) | 33.6 |
| 9 (CH2) | 38.9 |
| 10 (C) | 151.8 |
| 11 (CH) | 45.2 |
| 12 (C) | 179.9 |
| 13 (CH2) | 51.1 |
| 14 (CH2) | 111.8 |
| 15 (CH2) | 108.9 |
