Spektraris NMR
ent-8a,9b-Dihydroxylabda-13(16),14-dien-1-one
Common Name: ent-8a,9b-Dihydroxylabda-13(16),14-dien-1-one
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H32O3/c1-7-14(2)8-13-20(23)18(5,22)12-9-15-17(3,4)11-10-16(21)19(15,20)6/h7,15,22-23H,1-2,8-13H2,3-6H3/t15-,18-,19+,20+/m1/s1
InChIKey: InChIKey=MFXMFYDAHORRBV-XCLNPWKQSA-N
Formula: C20H32O3
Molecular Weight: 320.467037
Exact Mass: 320.235145
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Feld, H., Zapp, J., Connolly, J.D., Becker, H. Phytochemistry (2004) 65, 2357-62
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Labdanes; 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) | 221.5 |
| 2 (CH2) | 36.3 |
| 3 (CH2) | 43.4 |
| 4 (C) | 33.4 |
| 5 (CH) | 50.4 |
| 6 (CH2) | 18.5 |
| 7 (CH2) | 37.4 |
| 8 (C) | 75.9 |
| 9 (C) | 76.6 |
| 10 (C) | 59.5 |
| 11 (CH2) | 32.1 |
| 12 (CH2) | 28 |
| 13 (C) | 147.6 |
| 14 (CH) | 138.8 |
| 15 (CH2) | 113.5 |
| 16 (CH2) | 115.4 |
| 17 (CH3) | 26.8 |
| 18 (CH3) | 32.2 |
| 19 (CH3) | 22 |
| 20 (CH3) | 15.9 |
