Spektraris NMR
ent-7a-Acetoxy-17-hydroxy-15a,16a-epoxybeyeran-12-one
Common Name: ent-7a-Acetoxy-17-hydroxy-15a,16a-epoxybeyeran-12-one
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H32O5/c1-12(24)26-16-9-13-19(2,3)6-5-7-20(13,4)14-8-15(25)21(11-23)10-22(14,16)18-17(21)27-18/h13-14,16-18,23H,5-11H2,1-4H3/t13-,14+,16+,17+,18-,20-,21+,22+/m1/s1
InChIKey: InChIKey=OWURXVHXLVTUAR-CVRQOUDFSA-N
Formula: C22H32O5
Molecular Weight: 376.487318
Exact Mass: 376.224974
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Garcia-Granados, A., Parra, A., Arias, J.M. J Nat Prod (1997) 60, 86-92
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 (CH2) | 37.5 |
| 2 (CH2) | 18.3 |
| 3 (CH2) | 41.6 |
| 4 (C) | 32.6 |
| 5 (CH) | 47.8 |
| 6 (CH2) | 24.9 |
| 7 (CH) | 72.3 |
| 8 (C) | 47.9 |
| 9 (CH) | 52.6 |
| 10 (C) | 37.8 |
| 11 (CH2) | 38.6 |
| 12 (C) | 211.8 |
| 13 (C) | 59.2 |
| 14 (CH2) | 35.5 |
| 15 (CH) | 55.2 |
| 16 (CH) | 54.3 |
| 17 (CH2) | 61.5 |
| 18 (CH3) | 33.1 |
| 19 (CH3) | 21.5 |
| 20 (CH3) | 15.6 |
| 7a (C) | 170 |
| 7b (CH3) | 21.2 |
