Spektraris NMR
ent-15ξ,16-Dihydroxydolabr-4(18)-en-1-one
Common Name: ent-15ξ,16-Dihydroxydolabr-4(18)-en-1-one
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C23H36O3/c1-15-7-8-17(24)19-22(15,5)10-9-16-13-21(4,11-12-23(16,19)6)18-14-25-20(2,3)26-18/h16,18-19H,1,7-14H2,2-6H3/t16-,18-,19-,21-,22-,23-/m0/s1
InChIKey: InChIKey=WOPFWAMRLLBDQM-YZKULWDZSA-N
Formula: C23H36O3
Molecular Weight: 360.531008
Exact Mass: 360.266445
NMR Solvent:
MHz:
Calibration:
NMR references: 13C - Ansell, S.M., Pegel, K.H., Taylor, D.A.H. Phytochemistry (1993) 32, 953-9
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Dolabranes; 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 (C) | 211 |
| 2 (CH2) | 43.5 |
| 3 (CH2) | 34.2 |
| 4 (C) | 156 |
| 5 (C) | 43.6 |
| 6 (CH2) | 38 |
| 7 (CH2) | 25.6 |
| 8 (CH) | 41.6 |
| 9 (C) | 36.3 |
| 10 (CH) | 65.9 |
| 11 (CH2) | 32.7 |
| 12 (CH2) | 27.8 |
| 13 (C) | 35.4 |
| 14 (CH2) | 35.2 |
| 15 (CH) | 84.7 |
| 16 (CH2) | 64.6 |
| 17 (CH3) | 19.5 |
| 18 (CH2) | 105.8 |
| 19 (CH3) | 23.8 |
| 20 (CH3) | 12.4 |
| 15a (C) | 108.6 |
| 15b (CH3) | 25.1 |
| 15c (CH3) | 26.3 |
