Spektraris NMR
ent-17-Acetoxy-16a-hydroxyatis-13-en-11-one
Common Name: ent-17-Acetoxy-16a-hydroxyatis-13-en-11-one
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H32O4/c1-14(23)26-13-22(25)12-21-10-6-15(22)17(24)18(21)20(4)9-5-8-19(2,3)16(20)7-11-21/h6,10,15-16,18,25H,5,7-9,11-13H2,1-4H3/t15-,16+,18-,20+,21+,22+/m0/s1
InChIKey: InChIKey=GOXXCPRRKUZWFE-LLHZUYHWSA-N
Formula: C22H32O4
Molecular Weight: 360.487914
Exact Mass: 360.23006
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 : Atisanes; 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) | 39.6 |
| 2 (CH2) | 18.5 |
| 3 (CH2) | 41.9 |
| 4 (C) | 33.4 |
| 5 (CH) | 55.3 |
| 6 (CH2) | 18.8 |
| 7 (CH2) | 36.7 |
| 8 (C) | 39.8 |
| 9 (CH) | 59 |
| 10 (C) | 41.6 |
| 11 (C) | 210.2 |
| 12 (CH) | 60.9 |
| 13 (CH) | 122.7 |
| 14 (CH) | 142.1 |
| 15 (CH2) | 47.4 |
| 16 (C) | 75.5 |
| 17 (CH2) | 68.8 |
| 18 (CH3) | 33.8 |
| 19 (CH3) | 21.8 |
| 20 (CH3) | 17.4 |
| 17a (C) | 170.9 |
| 17b (CH3) | 20.9 |
