Spektraris NMR
Amentotaxin WB
Common Name: Amentotaxin WB
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C18H18O4/c1-8-10-7-11-12(16(10)22-17(8)21)6-9-4-5-13(19)18(2,3)14(9)15(11)20/h4-6,8,10,16,20H,7H2,1-3H3/t8-,10+,16-/m1/s1
InChIKey: InChIKey=JRSDIIUIWFLSLP-JFDMKLCPSA-N
Formula: C18H18O4
Molecular Weight: 298.333799
Exact Mass: 298.120509
NMR Solvent: CD3COCD3
MHz:
Calibration:
NMR references: 13C - Day, S.H., Su, H.J., Lin, C.N., Yang, S.Z. Helv Chim Acta (2002) 85, 2377-82
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Phyllocladanes; 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) | 47.1 |
| 2 (C) | 204.3 |
| 3 (CH) | 124.3 |
| 4 (CH) | 146.5 |
| 5 (CH) | 120.7 |
| 6 (C) | 140.6 |
| 7 (C) | 134.4 |
| 8 (C) | 152.8 |
| 9 (CH2) | 29.7 |
| 10 (CH) | 44.3 |
| 11 (CH) | 85.8 |
| 12 (C) | 178.8 |
| 13 (CH) | 38.8 |
| 14 (CH3) | 12.1 |
| 15 (CH3) | 24.4 |
| 16 (CH3) | 24.2 |
| 17 (C) | 131.2 |
| 18 (C) | 135 |
