Spektraris NMR
Obtusanol B
Common Name: Obtusanol B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C40H54O5/c1-22(2)24-17-26-28(19-30(24)41)39(9)15-11-13-37(5,6)33(39)21-32(26)45-44-31-20-29-27(18-25(31)23(3)4)34(42)35(43)36-38(7,8)14-12-16-40(29,36)10/h17-20,22-23,32-33,41,43H,11-16,21H2,1-10H3/t32-,33-,39+,40+/m0/s1
InChIKey: InChIKey=YWBKKENLEYFYSE-FONAMCPPSA-N
Formula: C40H54O5
Molecular Weight: 614.855261
Exact Mass: 614.397125
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) | 18.8 |
| 3 (CH2) | 42.4 |
| 4 (C) | 37.7 |
| 5 (CH) | 47.3 |
| 6 (CH2) | 34.2 |
| 7 (CH) | 102.4 |
| 8 (C) | 142.6 |
| 9 (C) | 146.1 |
| 10 (C) | 41.4 |
| 11 (CH) | 114.1 |
| 12 (C) | 149.4 |
| 13 (C) | 133.1 |
| 14 (CH) | 120.8 |
| 15 (CH) | 26.9 |
| 16 (CH3) | 21.7 |
| 17 (CH3) | 21.8 |
| 18 (CH3) | 33.7 |
| 19 (CH3) | 22.5 |
| 20 (CH3) | 23.2 |
| 1' (CH2) | 33.7 |
| 2' (CH2) | 17.6 |
| 3' (CH2) | 37.7 |
| 4' (C) | 35.9 |
| 5' (C) | 141.1 |
| 6' (C) | 143.8 |
| 7' (C) | 179.8 |
| 8' (C) | 120.9 |
| 9' (C) | 154.2 |
| 10' (C) | 40.7 |
| 11' (CH) | 109.8 |
| 12' (C) | 158.5 |
| 13' (C) | 137.2 |
| 14' (CH) | 125.1 |
| 15' (CH) | 27.4 |
| 16' (CH3) | 22.6 |
| 17' (CH3) | 22.6 |
| 18' (CH3) | 27.6 |
| 19' (CH3) | 28 |
| 20' (CH3) | 35 |
