Spektraris NMR
ent-7a-Acetoxy-17-(tert-butyldimethylsilyl)beyer-15-en-12-one
Common Name: ent-7a-Acetoxy-17-(tert-butyldimethylsilyl)beyer-15-en-12-one
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H46O4Si/c1-19(29)32-23-16-20-25(5,6)11-10-12-26(20,7)21-15-22(30)27(13-14-28(21,23)17-27)18-31-33(8,9)24(2,3)4/h13-14,20-21,23H,10-12,15-18H2,1-9H3/t20-,21+,23+,26-,27-,28-/m1/s1
InChIKey: InChIKey=KOHLMZGTSUVHGV-GTDYTJBOSA-N
Formula: C28H46O4S1
Molecular Weight: 478.729584
Exact Mass: 478.311681
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) | 38.1 |
| 2 (CH2) | 18.3 |
| 3 (CH2) | 41.8 |
| 4 (C) | 32.6 |
| 5 (CH) | 47.7 |
| 6 (CH2) | 25 |
| 7 (CH) | 74.9 |
| 8 (C) | 52.5 |
| 9 (CH) | 49.8 |
| 10 (C) | 37.6 |
| 11 (CH2) | 36.3 |
| 12 (C) | 210.4 |
| 13 (C) | 63 |
| 14 (CH2) | 49 |
| 15 (CH) | 137.5 |
| 16 (CH) | 134.7 |
| 17 (CH2) | 61.7 |
| 18 (CH3) | 33.1 |
| 19 (CH3) | 21.5 |
| 20 (CH3) | 13.5 |
| 7a (C) | 170.4 |
| 7b (CH3) | 21.3 |
| 17a (C) | 26 |
| 17b (CH3) | 18.4 |
| 17c (CH3) | 5.4 |
| 17d (CH3) | 5.4 |
| 17aa (CH3) | 18.4 |
| 17ab (CH3) | 18.4 |
