Spektraris NMR
15b-Hydroxy-3β,18-cyclo-ent-trachyloban-14-one
Common Name: 15b-Hydroxy-3β,18-cyclo-ent-trachyloban-14-one
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H28O2/c1-17-6-4-10-9-18(10,2)12(17)5-7-20-13(17)8-11-14(15(20)21)19(11,3)16(20)22/h10-14,16,22H,4-9H2,1-3H3/t10-,11-,12+,13+,14+,16-,17-,18+,19+,20+/m1/s1
InChIKey: InChIKey=IVOMJTYTUMAEPU-IWFQMSHASA-N
Formula: C20H28O2
Molecular Weight: 300.435869
Exact Mass: 300.20893
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 : Cyclo-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) | 33.93 |
| 2 (CH2) | 22.25 |
| 3 (CH) | 19.3 |
| 4 (C) | 15.84 |
| 5 (CH) | 50.4 |
| 6 (CH2) | 19.09 |
| 7 (CH2) | 27.94 |
| 8 (C) | 49.81 |
| 9 (CH) | 45.83 |
| 10 (C) | 35.85 |
| 11 (CH2) | 19.43 |
| 12 (CH) | 34.85 |
| 13 (CH) | 40.14 |
| 14 (C) | 212.42 |
| 15 (CH) | 77.12 |
| 16 (C) | 38.63 |
| 17 (CH3) | 17.95 |
| 18 (CH2) | 23.71 |
| 19 (CH3) | 21.57 |
| 20 (CH3) | 11.31 |
