Spektraris NMR
Subspicatin D
Common Name: Subspicatin D
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H28O6/c1-6-10(2)15(21)24-14-8-7-11(3)18(5)13(14)9-19-20(26-19,17(18)23)12(4)16(22)25-19/h6,11-14,17,23H,7-9H2,1-5H3/b10-6-/t11-,12+,13-,14+,17-,18+,19+,20-/m0/s1
InChIKey: InChIKey=OVMSUOGTJXIEKB-YBGDXNKKSA-N
Formula: C20H28O6
Molecular Weight: 364.433489
Exact Mass: 364.188589
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 (CH) | 71.2 |
| 2 (CH2) | 26.7 |
| 3 (CH2) | 26.4 |
| 4 (CH) | 31.3 |
| 5 (C) | 42.1 |
| 6 (CH) | 66.61 |
| 7 (C) | 66.58 |
| 8 (C) | 86.7 |
| 9 (CH2) | 19.3 |
| 10 (CH) | 39.1 |
| 11 (CH) | 40.5 |
| 12 (C) | 175.9 |
| 13 (CH3) | 11.5 |
| 14 (CH3) | 18.5 |
| 15 (CH3) | 14.2 |
| 1a (C) | 166.9 |
| 1b (C) | 128.2 |
| 1c (CH) | 138.2 |
| 1d (CH3) | 15.9 |
| 1ba (CH3) | 20.8 |
