Spektraris NMR
Obtusanol A
Common Name: Obtusanol A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C40H56O4/c1-23(2)25-17-28-29(19-31(25)41)39(9)15-12-14-38(7,8)36(39)22-34(28)44-43-33-20-30-27(18-26(33)24(3)4)32(42)21-35-37(5,6)13-11-16-40(30,35)10/h17-20,23-24,34-36,41H,11-16,21-22H2,1-10H3/t34-,35-,36-,39+,40+/m0/s1
InChIKey: InChIKey=KZGQZFOHDQWSJK-OPSGKIFQSA-N
Formula: C40H56O4
Molecular Weight: 600.871738
Exact Mass: 600.41786
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Kuo, Y.H., Chen, C.H., Wein, Y.S. Helv Chim Acta (2002) 85, 2657-63
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Abietanes; 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) | 41.1 |
| 2 (CH2) | 18.7 |
| 3 (CH2) | 42.5 |
| 4 (C) | 33.3 |
| 5 (CH) | 47.4 |
| 6 (CH2) | 34.3 |
| 7 (CH) | 102.5 |
| 8 (C) | 142.7 |
| 9 (C) | 146.2 |
| 10 (C) | 41.2 |
| 11 (CH) | 114 |
| 12 (C) | 149.4 |
| 13 (C) | 133 |
| 14 (CH) | 120.9 |
| 15 (CH) | 26.8 |
| 16 (CH3) | 21.7 |
| 17 (CH3) | 21.8 |
| 18 (CH3) | 33.7 |
| 19 (CH3) | 22.6 |
| 20 (CH3) | 23.4 |
| 1' (CH2) | 38.2 |
| 2' (CH2) | 18.8 |
| 3' (CH2) | 41.3 |
| 4' (C) | 34.8 |
| 5' (CH) | 49.7 |
| 6' (CH2) | 36 |
| 7' (C) | 198.8 |
| 8' (C) | 125.2 |
| 9' (C) | 156 |
| 10' (C) | 38.3 |
| 11' (CH) | 108.4 |
| 12' (C) | 159 |
| 13' (C) | 136.3 |
| 14' (CH) | 126.1 |
| 15' (CH) | 27.5 |
| 16' (CH3) | 22.5 |
| 17' (CH3) | 22.5 |
| 18' (CH3) | 32.6 |
| 19' (CH3) | 21.4 |
| 20' (CH3) | 23.2 |
