Spektraris NMR
ent-18-Acetoxy-14a-(benzoyloxy)-15a,16a-epoxybeyerane
Common Name: ent-18-Acetoxy-14a-(benzoyloxy)-15a,16a-epoxybeyerane
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C29H38O5/c1-18(30)32-17-26(2)13-8-14-27(3)20(26)12-16-29-21(27)11-15-28(4,22-23(29)33-22)25(29)34-24(31)19-9-6-5-7-10-19/h5-7,9-10,20-23,25H,8,11-17H2,1-4H3/t20-,21+,22+,23-,25?,26-,27-,28-,29+/m1/s1
InChIKey: InChIKey=FZERNYSNBULIGM-XJVAPQOBSA-N
Formula: C29H38O5
Molecular Weight: 466.610114
Exact Mass: 466.271924
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Garcia-Granados, A., Duenas, J., Guerrero, A., Martinez, A., Parra, A. J Nat Prod (1996) 59, 124-30
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) | 39.3 |
| 2 (CH2) | 18.3 |
| 3 (CH2) | 35.8 |
| 4 (C) | 36.5 |
| 5 (CH) | 48.3 |
| 6 (CH2) | 19.3 |
| 7 (CH2) | 30.1 |
| 8 (C) | 45.5 |
| 9 (CH) | 50 |
| 10 (C) | 37.2 |
| 11 (CH2) | 17.8 |
| 12 (CH2) | 29.2 |
| 13 (C) | 40.8 |
| 14 (CH) | 78 |
| 15 (CH) | 55.1 |
| 16 (CH) | 59 |
| 17 (CH3) | 19.4 |
| 18 (CH2) | 73 |
| 19 (CH3) | 17.6 |
| 20 (CH3) | 16.2 |
| 14a (C) | 166.2 |
| 14b (C) | 133.2 |
| 14c (CH) | 130.5 |
| 14d (CH) | 129.6 |
| 14e (CH) | 128.6 |
| 14f (CH) | 129.6 |
| 14g (CH) | 130.5 |
| 18a (C) | 171.2 |
| 18b (CH3) | 20.8 |
