Spektraris NMR
(5alpha,8alpha,9S,10beta,13xi)-15-Hydroxy-16-acetoxycleroda-3-ene-19-oic acid
Common Name: (5alpha,8alpha,9S,10beta,13xi)-15-Hydroxy-16-acetoxycleroda-3-ene-19-oic acid
Synonyms: (5alpha,8alpha,9S,10beta,13xi)-15-Hydroxy-16-acetoxycleroda-3-ene-19-oic acid
CAS Registry Number:
InChI: InChI=1S/C22H36O5/c1-15-8-11-22(4)18(20(25)26)6-5-7-19(22)21(15,3)12-9-17(10-13-23)14-27-16(2)24/h6,15,17,19,23H,5,7-14H2,1-4H3,(H,25,26)/t15-,17?,19-,21+,22+/m1/s1
InChIKey: InChIKey=NHICXBFHDXVLOW-AEIRSWIYSA-N
Formula: C22H36O5
Molecular Weight: 380.519082
Exact Mass: 380.256274
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Guo, Y., Li, Y., Xu, J., Li, N., Yamakuni, T., Ohizumi, Y. Chem Pharm Bull (2007) 55, 1532-4
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) | 17.5 |
| 2 (CH2) | 27.3 |
| 3 (CH) | 140 |
| 4 (C) | 141.7 |
| 5 (C) | 37.6 |
| 6 (CH2) | 35.9 |
| 7 (CH2) | 27.6 |
| 8 (CH) | 36.2 |
| 9 (C) | 38.7 |
| 10 (CH) | 46.6 |
| 11 (CH2) | 35 |
| 12 (CH2) | 24.1 |
| 13 (CH) | 34.9 |
| 14 (CH2) | 34.5 |
| 15 (CH2) | 60.8 |
| 16 (CH2) | 67 |
| 17 (CH3) | 15.9 |
| 18 (C) | 172.2 |
| 19 (CH3) | 20.6 |
| 20 (CH3) | 18.5 |
| 16a (C) | 171.4 |
| 16b (CH3) | 21 |
