Spektraris NMR
14alpha-Vinyl-3beta-hydroxy-13-(hydroxymethyl)podocarpa-12-ene-2-one
Common Name: 14alpha-Vinyl-3beta-hydroxy-13-(hydroxymethyl)podocarpa-12-ene-2-one
Synonyms: 14alpha-Vinyl-3beta-hydroxy-13-(hydroxymethyl)podocarpa-12-ene-2-one
CAS Registry Number:
InChI: InChI=1S/C20H30O3/c1-5-13-12(11-21)6-8-15-14(13)7-9-17-19(2,3)18(23)16(22)10-20(15,17)4/h5-6,13-15,17-18,21,23H,1,7-11H2,2-4H3/t13-,14-,15-,17-,18-,20+/m0/s1
InChIKey: InChIKey=MUYAADWIAXDECH-RUKSUOCASA-N
Formula: C20H30O3
Molecular Weight: 318.451155
Exact Mass: 318.219495
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Du, Z.Z., Shen, Y.M. Helv Chim Acta (2006) 89, 2841-5
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Cleistanthanes; 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) | 51.5 |
| 2 (C) | 211 |
| 3 (CH) | 82.6 |
| 4 (C) | 45.6 |
| 5 (CH) | 53.4 |
| 6 (CH2) | 21.2 |
| 7 (CH2) | 32.6 |
| 8 (CH) | 36.6 |
| 9 (CH) | 49.8 |
| 10 (C) | 43.5 |
| 11 (CH2) | 23.9 |
| 12 (CH) | 123 |
| 13 (C) | 137 |
| 14 (CH) | 50.6 |
| 15 (CH) | 140.4 |
| 16 (CH2) | 117.6 |
| 17 (CH2) | 65.5 |
| 18 (CH3) | 29.2 |
| 19 (CH3) | 16.7 |
| 20 (CH3) | 14.4 |
