Spektraris NMR
(4R,5alpha,8alpha,9R,10beta)-3alpha,4-Dihydroxy-15,16-epoxy-12-oxocleroda-13(16),14-dien-20-one
Common Name: (4R,5alpha,8alpha,9R,10beta)-3alpha,4-Dihydroxy-15,16-epoxy-12-oxocleroda-13(16),14-dien-20-one
Synonyms: (4R,5alpha,8alpha,9R,10beta)-3alpha,4-Dihydroxy-15,16-epoxy-12-oxocleroda-13(16),14-dien-20-one
CAS Registry Number:
InChI: InChI=1S/C20H28O5/c1-13-6-8-18(2)16(4-5-17(23)19(18,3)24)20(13,12-21)10-15(22)14-7-9-25-11-14/h7,9,11-13,16-17,23-24H,4-6,8,10H2,1-3H3/t13-,16+,17-,18-,19+,20-/m1/s1
InChIKey: InChIKey=YCSIGVSHBWAUNH-JPXWGHGXSA-N
Formula: C20H28O5
Molecular Weight: 348.434084
Exact Mass: 348.193674
NMR Solvent: C+M
MHz:
Calibration:
NMR references: 13C - Krebs, H.C., Ramiarantsoa, H. Phytochemistry (1996) 41, 561-3
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) | 17.6 |
| 2 (CH2) | 29.7 |
| 3 (CH) | 75.1 |
| 4 (C) | 75.6 |
| 5 (C) | 41.2 |
| 6 (CH2) | 31.5 |
| 7 (CH2) | 26.5 |
| 8 (CH) | 36.3 |
| 9 (C) | 54.7 |
| 10 (CH) | 44.5 |
| 11 (CH2) | 40.8 |
| 12 (C) | 194.4 |
| 13 (C) | 128.9 |
| 14 (CH) | 108.3 |
| 15 (CH) | 144.3 |
| 16 (CH) | 147.4 |
| 17 (CH3) | 17.5 |
| 18 (CH3) | 20.7 |
| 19 (CH3) | 17.9 |
| 20 (CH) | 206.3 |
