Spektraris NMR
Secotanapartholide A
Common Name: Secotanapartholide A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H18O5/c1-8(16)4-5-10-9(2)14(18)20-13(10)12-11(17)6-7-15(12,3)19/h6-7,10,12-13,19H,2,4-5H2,1,3H3/t10-,12-,13-,15+/m0/s1
InChIKey: InChIKey=RTOGTHJTQOMSQZ-GZCFXPHUSA-N
Formula: C15H18O5
Molecular Weight: 278.300997
Exact Mass: 278.115424
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Kawazoe, K., Tsubouchi, Y., Abdullah, N., Takaishi, Y., Shibata, H., Higuti, T., Hori, H., Ogawa, M. J Nat Prod (2003) 66, 538-9
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 (C) | 202.4 |
| 2 (CH) | 131 |
| 3 (CH) | 166.5 |
| 4 (C) | 78.8 |
| 5 (CH) | 62.8 |
| 6 (CH) | 80.3 |
| 7 (CH) | 52 |
| 8 (CH2) | 28.6 |
| 9 (CH2) | 39.7 |
| 10 (C) | 207.7 |
| 11 (C) | 169.7 |
| 12 (C) | 137.5 |
| 13 (CH2) | 125 |
| 14 (CH3) | 30 |
| 15 (CH3) | 25.4 |
