Spektraris NMR
Dimethylrobustadial A
Common Name: Dimethylrobustadial A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H34O5/c1-14(2)9-15-11-25(8-7-16-10-19(25)24(16,3)4)30-23-18(13-27)21(28-5)17(12-26)22(29-6)20(15)23/h12-16,19H,7-11H2,1-6H3/t15-,16-,19+,25+/m1/s1
InChIKey: InChIKey=OHYUUAJXLCKHNC-MKXAIGNLSA-N
Formula: C25H34O5
Molecular Weight: 414.535408
Exact Mass: 414.240624
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Cheng, Q., Snyder, J.K. J. Org. Chem. (1988) 53, 4562-7
Species:
Notes: Family : Terpenoids, Type : Meromonoterpenoids, Group : Pinanes; 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) | 48.9 |
| 2 (C) | 85.7 |
| 3 (CH2) | 30.9 |
| 4 (CH2) | 24.8 |
| 5 (CH) | 40.5 |
| 6 (CH2) | 26.6 |
| 7 (C) | 38.2 |
| 8 (CH3) | 27.7 |
| 9 (CH3) | 23.4 |
| 10 (CH2) | 39.3 |
| 1' (C) | 118.8 |
| 2' (C) | 163.5 |
| 3' (C) | 115.3 |
| 4' (C) | 164.9 |
| 5' (C) | 116.1 |
| 6' (C) | 165.4 |
| 7' (CH) | 27.1 |
| 8' (CH) | 187.6 |
| 9' (CH) | 187.6 |
| 10' (CH2) | 44 |
| 11' (CH) | 25.5 |
| 12' (CH3) | 21 |
| 13' (CH3) | 24 |
| 4'a (CH3) | 64.9 |
| 6'a (CH3) | 62.5 |
