Spektraris NMR
ent-7a-Acetoxy-3b,12a,17-trihydroxy-15r,16r-epoxybeyerane
Common Name: ent-7a-Acetoxy-3b,12a,17-trihydroxy-15r,16r-epoxybeyerane
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H34O6/c1-11(24)27-16-8-12-19(2,3)14(25)5-6-20(12,4)13-7-15(26)21(10-23)9-22(13,16)18-17(21)28-18/h12-18,23,25-26H,5-10H2,1-4H3/t12-,13+,14-,15-,16+,17+,18-,20-,21+,22+/m1/s1
InChIKey: InChIKey=BBQBSUSYSQYWBH-ZJQQIKHJSA-N
Formula: C22H34O6
Molecular Weight: 394.502605
Exact Mass: 394.235539
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) | 38.6 |
| 2 (CH2) | 27.8 |
| 3 (CH) | 79.4 |
| 4 (C) | 38 |
| 5 (CH) | 48.7 |
| 6 (CH2) | 25.9 |
| 7 (CH) | 75 |
| 8 (C) | 51 |
| 9 (CH) | 49.2 |
| 10 (C) | 39.4 |
| 11 (CH2) | 29.3 |
| 12 (CH) | 67.9 |
| 13 (C) | 49.3 |
| 14 (CH2) | 31.7 |
| 15 (CH) | 57.1 |
| 16 (CH) | 55.4 |
| 17 (CH2) | 63.2 |
| 18 (CH3) | 28.6 |
| 19 (CH3) | 16.1 |
| 20 (CH3) | 15.8 |
| 7a (C) | 172.1 |
| 7b (CH3) | 21.1 |
