Spektraris NMR
Henrilabdane A
Common Name: Henrilabdane A
Synonyms: Henrilabdane A
CAS Registry Number:
InChI: InChI=1S/C20H32O4/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/h8,15-17,21-22H,1,5-7,9-12H2,2-4H3,(H,23,24)/b14-8+/t15-,16+,17+,19+,20-/m0/s1
InChIKey: InChIKey=PZEKZRHZHHZLOB-HIOQKSNKSA-N
Formula: C20H32O4
Molecular Weight: 336.466442
Exact Mass: 336.23006
NMR Solvent: CD3OD
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) | 40.7 |
| 2 (CH2) | 21.6 |
| 3 (CH2) | 39.9 |
| 4 (C) | 45.7 |
| 5 (CH) | 59.7 |
| 6 (CH2) | 28.1 |
| 7 (CH2) | 40.4 |
| 8 (C) | 150.8 |
| 9 (CH) | 53.7 |
| 10 (C) | 41.7 |
| 11 (CH2) | 32 |
| 12 (CH) | 76.4 |
| 13 (C) | 143 |
| 14 (CH) | 125.2 |
| 15 (CH2) | 59.7 |
| 16 (CH3) | 14 |
| 17 (CH2) | 107.5 |
| 18 (CH3) | 28.1 |
| 19 (C) | 181.8 |
| 20 (CH3) | 12.6 |
