Spektraris NMR
ent-15,16-Epoxy-20-acetoxy-2-oxo-3,13(16),14-clerodatrien
Common Name: ent-15,16-Epoxy-20-acetoxy-2-oxo-3,13(16),14-clerodatrien
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H30O4/c1-15-5-8-21(4)16(2)11-19(24)12-20(21)22(15,14-26-17(3)23)9-6-18-7-10-25-13-18/h7,10-11,13,15,20H,5-6,8-9,12,14H2,1-4H3/t15-,20+,21+,22-/m1/s1
InChIKey: InChIKey=XMTAIXFAMJUEAK-NSEXGNSCSA-N
Formula: C22H30O4
Molecular Weight: 358.472032
Exact Mass: 358.214409
NMR Solvent: C
MHz:
Calibration:
NMR references: 13C - El Babili, F., Moulis, C., Bon, M., Respaud, M.J., Fouraste, I. Phytochemistry (1998) 48, 165-9
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) | 36.6 |
| 2 (C) | 200.1 |
| 3 (CH) | 125.7 |
| 4 (C) | 171.9 |
| 5 (C) | 40 |
| 6 (CH2) | 36 |
| 7 (CH2) | 26.9 |
| 8 (CH) | 36.2 |
| 9 (C) | 41.6 |
| 10 (CH) | 45.9 |
| 11 (CH2) | 32.5 |
| 12 (CH2) | 17.7 |
| 13 (C) | 124.8 |
| 14 (CH) | 111 |
| 15 (CH) | 143 |
| 16 (CH) | 138.8 |
| 17 (CH3) | 16.5 |
| 18 (CH3) | 19.2 |
| 19 (CH3) | 17.6 |
| 20 (CH2) | 67.5 |
| 20a (C) | 171.2 |
| 20b (CH3) | 21.3 |
