Spektraris NMR
Asperdiol
Common Name: Asperdiol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H32O3/c1-14(2)17-9-7-15(3)6-5-11-20(4)19(23-20)10-8-16(13-21)12-18(17)22/h6,12,17-19,21-22H,1,5,7-11,13H2,2-4H3/b15-6+,16-12+/t17-,18+,19+,20-/m1/s1
InChIKey: InChIKey=FLJAFHRJXPAASR-RXHMYKNASA-N
Formula: C20H32O3
Molecular Weight: 320.467037
Exact Mass: 320.235145
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Rodriguez, A., Acosta, A.L. J Nat Prod (1997) 60, 1134-8
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Cembranes; 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) | 50.4 |
| 2 (CH) | 68.3 |
| 3 (CH) | 128.5 |
| 4 (C) | 139.3 |
| 5 (CH2) | 25.7 |
| 6 (CH2) | 26.4 |
| 7 (CH) | 64.7 |
| 8 (C) | 60.2 |
| 9 (CH2) | 37.3 |
| 10 (CH2) | 23.9 |
| 11 (CH) | 124.5 |
| 12 (C) | 135.4 |
| 13 (CH2) | 35.9 |
| 14 (CH2) | 27.9 |
| 15 (C) | 145.7 |
| 16 (CH3) | 22.2 |
| 17 (CH2) | 113.5 |
| 18 (CH2) | 65.4 |
| 19 (CH3) | 16.5 |
| 20 (CH3) | 15.7 |
