Spektraris NMR
ent-7a-Acetoxy-1b,17-dihydroxybeyer-15-en-12-one
Common Name: ent-7a-Acetoxy-1b,17-dihydroxybeyer-15-en-12-one
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H32O5/c1-13(24)27-18-10-14-19(2,3)6-5-16(25)20(14,4)15-9-17(26)21(12-23)7-8-22(15,18)11-21/h7-8,14-16,18,23,25H,5-6,9-12H2,1-4H3/t14-,15+,16+,18+,20-,21-,22-/m1/s1
InChIKey: InChIKey=ORKPCJLPXJDBLL-OXKZBYDOSA-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 (CH) | 79.3 |
| 2 (CH2) | 29.5 |
| 3 (CH2) | 39.7 |
| 4 (C) | 32.5 |
| 5 (CH) | 50.1 |
| 6 (CH2) | 24.9 |
| 7 (CH) | 74.5 |
| 8 (C) | 53 |
| 9 (CH) | 46.4 |
| 10 (C) | 42.9 |
| 11 (CH2) | 39.9 |
| 12 (C) | 213.7 |
| 13 (C) | 62.7 |
| 14 (CH2) | 49.3 |
| 15 (CH) | 138.1 |
| 16 (CH) | 133.9 |
| 17 (CH2) | 64 |
| 18 (CH3) | 32.9 |
| 19 (CH3) | 21.2 |
| 20 (CH3) | 9.3 |
| 7a (C) | 170.3 |
| 7b (CH3) | 21.1 |
