Spektraris NMR
Henrilabdane C
Common Name: Henrilabdane C
Synonyms: Henrilabdane C
CAS Registry Number:
InChI: InChI=1S/C20H30O4/c1-13-6-7-17-19(3,9-5-10-20(17,4)18(23)24)15(13)12-16(22)14(2)8-11-21/h8,15,17,21H,1,5-7,9-12H2,2-4H3,(H,23,24)/b14-8+/t15-,17+,19+,20-/m0/s1
InChIKey: InChIKey=COZNAXBZFKROPK-OEAZPXKUSA-N
Formula: C20H30O4
Molecular Weight: 334.45056
Exact Mass: 334.214409
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Wang, Y.Z., Tang, C.P., Ke, C.Q., Weiss, H.C., Gesing, E.R., Ye, Y. Phytochemistry (2008) 69, 518-26
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 (CH2) | 41.1 |
| 2 (CH2) | 21.6 |
| 3 (CH2) | 39.8 |
| 4 (C) | 45.7 |
| 5 (CH) | 57.8 |
| 6 (CH2) | 27.6 |
| 7 (CH2) | 39.7 |
| 8 (C) | 151.1 |
| 9 (CH) | 53.2 |
| 10 (C) | 41.3 |
| 11 (CH2) | 34.7 |
| 12 (C) | 203.9 |
| 13 (C) | 138.4 |
| 14 (CH) | 142.6 |
| 15 (CH2) | 60.6 |
| 16 (CH3) | 12.3 |
| 17 (CH2) | 107.2 |
| 18 (CH3) | 30.1 |
| 19 (C) | 181.8 |
| 20 (CH3) | 14.2 |
