Spektraris NMR
2-Acetoxy-1,15-beyeradiene-3,12-dione
Common Name: 2-Acetoxy-1,15-beyeradiene-3,12-dione
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H28O4/c1-13(23)26-14-11-21(5)15(19(2,3)18(14)25)6-7-22-9-8-20(4,12-22)17(24)10-16(21)22/h8-9,11,15-16H,6-7,10,12H2,1-5H3/t15-,16+,20?,21-,22+/m0/s1
InChIKey: InChIKey=RTPXQSGEIGDEKG-CFZYDJTDSA-N
Formula: C22H28O4
Molecular Weight: 356.456151
Exact Mass: 356.198759
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Anjaneyulu, A.S., Rao, V.L., Sreedhar, K. J Nat Prod (2002) 65, 382-5
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Beyeranes; 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 (CH) | 140.6 |
| 2 (C) | 143.2 |
| 3 (C) | 196.8 |
| 4 (C) | 45.4 |
| 5 (CH) | 52.3 |
| 6 (CH2) | 20.3 |
| 7 (CH2) | 35.7 |
| 8 (C) | 49.6 |
| 9 (CH) | 49.5 |
| 10 (C) | 39.5 |
| 11 (CH2) | 35.8 |
| 12 (C) | 209.9 |
| 13 (C) | 58.1 |
| 14 (CH2) | 57.5 |
| 15 (CH) | 133.8 |
| 16 (CH) | 137.4 |
| 17 (CH3) | 17.3 |
| 18 (CH3) | 27.3 |
| 19 (CH3) | 21.6 |
| 20 (CH3) | 16.9 |
| 2a (C) | 168.7 |
| 2b (CH3) | 20.2 |
