Spektraris NMR
14a-Hydroxy-ent-trachyloban-15-one
Common Name: 14a-Hydroxy-ent-trachyloban-15-one
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H30O2/c1-17(2)7-5-8-18(3)12(17)6-9-20-13(18)10-11-14(15(20)21)19(11,4)16(20)22/h11-15,21H,5-10H2,1-4H3/t11-,12-,13+,14+,15-,18-,19+,20+/m1/s1
InChIKey: InChIKey=UIPISNUUSGJRBG-PRIHUXGGSA-N
Formula: C20H30O2
Molecular Weight: 302.45175
Exact Mass: 302.22458
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Abad, A., Agullo, C., Cunat, A.C., Marzal, I.D., Navarto, I., Gris, A. Tetrahedron (2006) 62, 3266-83
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Trachylobanes; 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) | 40.69 |
| 2 (CH2) | 18.63 |
| 3 (CH2) | 41.67 |
| 4 (C) | 32.84 |
| 5 (CH) | 54.82 |
| 6 (CH2) | 19.03 |
| 7 (CH2) | 29.22 |
| 8 (C) | 49.7 |
| 9 (CH) | 56.47 |
| 10 (C) | 37.32 |
| 11 (CH2) | 17.79 |
| 12 (CH) | 33.48 |
| 13 (CH) | 35.68 |
| 14 (CH) | 76.55 |
| 15 (C) | 211.85 |
| 16 (C) | 37.32 |
| 17 (CH3) | 12.92 |
| 18 (CH3) | 34.03 |
| 19 (CH3) | 21.89 |
| 20 (CH3) | 15.75 |
