Spektraris NMR
(5alpha,8alpha,9S,10beta)-2beta-Hydroxycleroda-3,13-diene-15-oic acid methyl ester
Common Name: (5alpha,8alpha,9S,10beta)-2beta-Hydroxycleroda-3,13-diene-15-oic acid methyl ester
Synonyms: (5alpha,8alpha,9S,10beta)-2beta-Hydroxycleroda-3,13-diene-15-oic acid methyl ester
CAS Registry Number:
InChI: InChI=1S/C21H34O3/c1-14(11-19(23)24-6)7-9-20(4)15(2)8-10-21(5)16(3)12-17(22)13-18(20)21/h11-12,15,17-18,22H,7-10,13H2,1-6H3/b14-11+/t15-,17-,18-,20+,21+/m1/s1
InChIKey: InChIKey=GORPKZYGDKNNSA-LONYAEPCSA-N
Formula: C21H34O3
Molecular Weight: 334.493654
Exact Mass: 334.250795
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) | 29.1 |
| 2 (CH) | 69.5 |
| 3 (CH) | 124.4 |
| 4 (C) | 147.8 |
| 5 (C) | 38.6 |
| 6 (CH2) | 36.4 |
| 7 (CH2) | 27.2 |
| 8 (CH) | 36 |
| 9 (C) | 38.4 |
| 10 (CH) | 45.2 |
| 11 (CH2) | 36.2 |
| 12 (CH2) | 34.5 |
| 13 (C) | 161.1 |
| 14 (CH) | 115 |
| 15 (C) | 167.2 |
| 16 (CH3) | 19.2 |
| 17 (CH3) | 15.9 |
| 18 (CH3) | 17.8 |
| 19 (CH3) | 19.9 |
| 20 (CH3) | 18.4 |
| 15a (CH3) | 50.8 |
