Spektraris NMR
15,16-Epoxy-7a,18-dihydroxy-15-oxo-ent-cleroda-3-ene
Common Name: 15,16-Epoxy-7a,18-dihydroxy-15-oxo-ent-cleroda-3-ene
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H32O4/c1-13-16(22)10-20(3)15(11-21)5-4-6-17(20)19(13,2)8-7-14-9-18(23)24-12-14/h5,13-14,16-17,21-22H,4,6-12H2,1-3H3/t13-,14?,16-,17-,19+,20+/m1/s1
InChIKey: InChIKey=RQLQLTGVMLSJEI-IKCRSCLWSA-N
Formula: C20H32O4
Molecular Weight: 336.466442
Exact Mass: 336.23006
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Suttisri, R., Kinghorn, A.D., Wright, A.D., Sticher, O. Phytochemistry (1994) 35, 443-6
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) | 17.8 |
| 2 (CH2) | 26.3 |
| 3 (CH) | 121.4 |
| 4 (C) | 148.4 |
| 5 (C) | 37.1 |
| 6 (CH2) | 42.2 |
| 7 (CH) | 73.1 |
| 8 (CH) | 39.1 |
| 9 (C) | 38 |
| 10 (CH) | 46.2 |
| 11 (CH2) | 37 |
| 12 (CH2) | 26.7 |
| 13 (CH) | 36.1 |
| 14 (CH2) | 34.7 |
| 15 (C) | 177.1 |
| 16 (CH2) | 73.4 |
| 17 (CH3) | 12.4 |
| 18 (CH2) | 62.8 |
| 19 (CH3) | 23.2 |
| 20 (CH3) | 19.9 |
