Spektraris NMR
(16a)-16,17,18-Trihydroxyphyllocladan-3-one
Common Name: (16a)-16,17,18-Trihydroxyphyllocladan-3-one
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H32O4/c1-17-7-6-16(23)18(2,11-21)14(17)5-8-19-9-13(3-4-15(17)19)20(24,10-19)12-22/h13-15,21-22,24H,3-12H2,1-2H3/t13-,14-,15-,17+,18+,19+,20+/m1/s1
InChIKey: InChIKey=WAAHRCXULJPVOJ-KLEXHFHZSA-N
Formula: C20H32O4
Molecular Weight: 336.466442
Exact Mass: 336.23006
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Shao, Y., Hu, L.H., Sim, K.Y., Goh, S.H. Helv Chim Acta (2006) 89, 64-72
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Phyllocladanes; 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) | 37.74 |
| 2 (CH2) | 36.47 |
| 3 (C) | 219.81 |
| 4 (C) | 53.53 |
| 5 (CH) | 48.46 |
| 6 (CH2) | 22.2 |
| 7 (CH2) | 41.59 |
| 8 (C) | 44.63 |
| 9 (CH) | 56.89 |
| 10 (C) | 37.81 |
| 11 (CH2) | 20.91 |
| 12 (CH2) | 27.85 |
| 13 (CH) | 45 |
| 14 (CH2) | 49.53 |
| 15 (CH2) | 45.2 |
| 16 (C) | 85.59 |
| 17 (CH2) | 66.17 |
| 18 (CH2) | 68.08 |
| 19 (CH3) | 18.07 |
| 20 (CH3) | 15.34 |
