Spektraris NMR
Obtusanal B
Common Name: Obtusanal B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H26O3/c1-11(2)13-6-14-15(7-16(13)22)20(5)9-12(18(14)23)8-19(3,4)17(20)10-21/h6-7,10-12,17,22H,8-9H2,1-5H3/t12?,17-,20+/m0/s1
InChIKey: InChIKey=XORHJVXOIZLWMR-ZSUJMJGWSA-N
Formula: C20H26O3
Molecular Weight: 314.419392
Exact Mass: 314.188195
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Kuo, Y.H., Chen, C.H., Chien, S.C., Lin, H.C. Chem Pharm Bull (2004) 52, 764-6
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Abeo-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) | 36.9 |
| 2 (CH) | 61.6 |
| 3 (CH2) | 206.3 |
| 4 (C) | 44.9 |
| 5 (CH) | 68.7 |
| 6 (CH) | 201.7 |
| 7 (C) | 189.6 |
| 8 (C) | 125.2 |
| 9 (C) | 150.3 |
| 10 (C) | 35.8 |
| 11 (CH) | 112.3 |
| 12 (C) | 159.3 |
| 13 (C) | 135.4 |
| 14 (CH) | 126.9 |
| 15 (CH) | 26.9 |
| 16 (CH3) | 22.1 |
| 17 (CH3) | 22.3 |
| 18 (CH3) | 31.3 |
| 19 (CH3) | 25.5 |
| 20 (CH3) | 27.3 |
