Spektraris NMR
Subspicatin A
Common Name: Subspicatin A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H28O4/c1-5-12(2)19(22)24-17-7-6-13(3)20(4)9-15-14(10-21)11-23-18(15)8-16(17)20/h5,11,13,16-17,21H,6-10H2,1-4H3/b12-5-/t13-,16-,17+,20+/m0/s1
InChIKey: InChIKey=MDNZWGMJADDCJN-PSALHPJNSA-N
Formula: C20H28O4
Molecular Weight: 332.434679
Exact Mass: 332.198759
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) | 72.4 |
| 2 (CH2) | 27 |
| 3 (CH2) | 27.2 |
| 4 (CH) | 37.4 |
| 5 (C) | 37.3 |
| 6 (CH2) | 30.3 |
| 7 (C) | 115 |
| 8 (C) | 148.5 |
| 9 (CH2) | 21.3 |
| 10 (CH) | 40.5 |
| 11 (C) | 125.5 |
| 12 (CH) | 139 |
| 13 (CH2) | 55.8 |
| 14 (CH3) | 24.7 |
| 15 (CH3) | 14.7 |
| 1a (C) | 167.3 |
| 1b (C) | 128.4 |
| 1c (CH) | 137.6 |
| 1d (CH3) | 15.8 |
| 1ba (CH3) | 20.8 |
