Spektraris NMR
(5alpha,8alpha,9S,10beta)-Cleroda-3,13(16),14-triene
Common Name: (5alpha,8alpha,9S,10beta)-Cleroda-3,13(16),14-triene
Synonyms: (5alpha,8alpha,9S,10beta)-Cleroda-3,13(16),14-triene
CAS Registry Number:
InChI: InChI=1S/C20H32/c1-7-15(2)11-13-19(5)17(4)12-14-20(6)16(3)9-8-10-18(19)20/h7,9,17-18H,1-2,8,10-14H2,3-6H3/t17-,18-,19+,20+/m1/s1
InChIKey: InChIKey=DTIVNEHSCKVQIB-ZRNYENFQSA-N
Formula: C20H32
Molecular Weight: 272.468822
Exact Mass: 272.250401
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Nagashima, F., Takaoka, S., Asakawa, Y. Phytochemistry (1998) 49, 601-8
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Clerodanes; 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) | 18.3 |
| 2 (CH2) | 26.9 |
| 3 (CH) | 120.4 |
| 4 (C) | 144.5 |
| 5 (C) | 38.2 |
| 6 (CH2) | 36.8 |
| 7 (CH2) | 27.5 |
| 8 (CH) | 36.3 |
| 9 (C) | 38.8 |
| 10 (CH) | 46.5 |
| 11 (CH2) | 37.5 |
| 12 (CH2) | 24.7 |
| 13 (C) | 147.6 |
| 14 (CH) | 139 |
| 15 (CH2) | 112.9 |
| 16 (CH2) | 115.5 |
| 17 (CH3) | 16.1 |
| 18 (CH3) | 18 |
| 19 (CH3) | 20 |
| 20 (CH3) | 18.4 |
