Spektraris NMR
Calcaratarin B
Common Name: Calcaratarin B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H32O2/c1-14(13-18(21)22)7-9-16-15(2)8-10-17-19(3,4)11-6-12-20(16,17)5/h7,16-17H,2,6,8-13H2,1,3-5H3,(H,21,22)/b14-7-/t16-,17-,20+/m0/s1
InChIKey: InChIKey=JSNVJPLVHIOLEM-YPCBCADOSA-N
Formula: C20H32O2
Molecular Weight: 304.467632
Exact Mass: 304.24023
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Kong, L.Y., Qin, M.J., Niwa, M. J Nat Prod (2000) 63, 939-42
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) | 39.1 |
| 2 (CH2) | 19.38 |
| 3 (CH2) | 42.12 |
| 4 (C) | 33.55 |
| 5 (CH) | 55.39 |
| 6 (CH2) | 24.23 |
| 7 (CH2) | 38.1 |
| 8 (C) | 148.56 |
| 9 (CH) | 57.1 |
| 10 (C) | 39.51 |
| 11 (CH2) | 22.76 |
| 12 (CH) | 130.24 |
| 13 (C) | 126.63 |
| 14 (CH2) | 37.39 |
| 15 (C) | 177.21 |
| 16 (CH3) | 23.87 |
| 17 (CH2) | 107.37 |
| 18 (CH3) | 33.62 |
| 19 (CH3) | 21.75 |
| 20 (CH3) | 14.38 |
