Spektraris NMR
Subspicatolide
Common Name: Subspicatolide
Synonyms: Subspicatolide
CAS Registry Number:
InChI: InChI=1S/C15H22O4/c1-8-5-4-6-10-7-11(16)15(18)9(2)12(17)19-13(15)14(8,10)3/h8-10,13,18H,4-7H2,1-3H3/t8-,9-,10+,13-,14+,15-/m0/s1
InChIKey: InChIKey=UBYUNTMRNPBFEF-NCQMRKNVSA-N
Formula: C15H22O4
Molecular Weight: 266.333355
Exact Mass: 266.151809
NMR Solvent: C6D6
MHz:
Calibration:
NMR references: 13C - Tori, M., Okamoto, Y., Tachikawa, K., Mihara, K., Watanabe, A., Sakaoku, M., Takaoka, S., Tanaka, M., Gong, X., Kuroda, C., Hattori, M., Hanai, R. Tetrahedron (2008) 64, 9136-42
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) | 28.9 |
| 2 (CH2) | 20.6 |
| 3 (CH2) | 29.8 |
| 4 (CH) | 31.2 |
| 5 (C) | 39.1 |
| 6 (CH) | 88.3 |
| 7 (C) | 81.4 |
| 8 (C) | 212.3 |
| 9 (CH2) | 39.9 |
| 10 (CH) | 36.2 |
| 11 (CH) | 46.5 |
| 12 (C) | 174 |
| 13 (CH3) | 9.3 |
| 14 (CH3) | 17 |
| 15 (CH3) | 16.4 |
