Spektraris NMR
(5alpha,8alpha,9R,10beta)-7alpha-Acetoxy-3beta-hydroxycleroda-4(19),13-diene-15-oic acid methyl ester
Common Name: (5alpha,8alpha,9R,10beta)-7alpha-Acetoxy-3beta-hydroxycleroda-4(19),13-diene-15-oic acid methyl ester
Synonyms: (5alpha,8alpha,9R,10beta)-7alpha-Acetoxy-3beta-hydroxycleroda-4(19),13-diene-15-oic acid methyl ester
CAS Registry Number:
InChI: InChI=1S/C23H36O5/c1-14(12-21(26)27-7)10-11-22(5)16(3)19(28-17(4)24)13-23(6)15(2)18(25)8-9-20(22)23/h12,16,18-20,25H,2,8-11,13H2,1,3-7H3/b14-12+/t16-,18+,19-,20-,22+,23+/m1/s1
InChIKey: InChIKey=MNVUZMNFPKHROO-ZRZSYHNPSA-N
Formula: C23H36O5
Molecular Weight: 392.529817
Exact Mass: 392.256274
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Tori, M., Katto, A., Sono, M. Phytochemistry (1999) 52, 487-93
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) | 20 |
| 2 (CH2) | 32.2 |
| 3 (CH) | 82.4 |
| 4 (C) | 156.5 |
| 5 (C) | 39.7 |
| 6 (CH2) | 39.9 |
| 7 (CH) | 74.8 |
| 8 (CH) | 38.1 |
| 9 (C) | 39 |
| 10 (CH) | 48.3 |
| 11 (CH2) | 37.2 |
| 12 (CH2) | 34.5 |
| 13 (C) | 160.4 |
| 14 (CH) | 115.2 |
| 15 (C) | 167.1 |
| 16 (CH3) | 19.1 |
| 17 (CH3) | 12 |
| 18 (CH2) | 101.1 |
| 19 (CH3) | 21.8 |
| 20 (CH3) | 19.4 |
| 7a (C) | 170.6 |
| 7b (CH3) | 21.4 |
| 15a (CH3) | 50.9 |
