Spektraris NMR
3beta-Acetoxy-12-methoxy-13-methylpodocarpa-8,11,13-triene-7-one
Common Name: 3beta-Acetoxy-12-methoxy-13-methylpodocarpa-8,11,13-triene-7-one
Synonyms: 3beta-Acetoxy-12-methoxy-13-methylpodocarpa-8,11,13-triene-7-one
CAS Registry Number:
InChI: InChI=1S/C21H28O4/c1-12-9-14-15(10-17(12)24-6)21(5)8-7-19(25-13(2)22)20(3,4)18(21)11-16(14)23/h9-10,18-19H,7-8,11H2,1-6H3/t18-,19-,21+/m0/s1
InChIKey: InChIKey=SAYFFKOYQFYZOH-IRFCIJBXSA-N
Formula: C21H28O4
Molecular Weight: 344.445415
Exact Mass: 344.198759
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Ravindranath, N., Ravinder Reddy, M., Ramesh, C., Ramu, R., Prabhakar, A., Jagadeesh, B., Das, B. Chem Pharm Bull (2004) 52, 608-11
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Podocarpanes; 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) | 35.9 |
| 2 (CH2) | 24 |
| 3 (CH) | 79.8 |
| 4 (C) | 37.7 |
| 5 (CH) | 49 |
| 6 (CH2) | 35.3 |
| 7 (C) | 197.6 |
| 8 (C) | 125.3 |
| 9 (C) | 123.6 |
| 10 (C) | 38 |
| 11 (CH) | 104 |
| 12 (C) | 162.6 |
| 13 (C) | 155.6 |
| 14 (CH) | 129.8 |
| 15 (CH3) | 16.1 |
| 18 (CH3) | 27.5 |
| 19 (CH3) | 15.6 |
| 20 (CH3) | 23.4 |
| 3a (C) | 170.8 |
| 3b (CH3) | 21.2 |
| 12a (CH3) | 55.6 |
