Spektraris NMR
Caesaldekarin H
Common Name: Caesaldekarin H
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H32O4/c1-14-16-6-10-22(24)20(3,13-26-15(2)23)8-5-9-21(22,4)18(16)12-19-17(14)7-11-25-19/h7,11,14,16,18,24H,5-6,8-10,12-13H2,1-4H3/t14-,16+,18+,20-,21-,22-/m1/s1
InChIKey: InChIKey=KMEXOYVGFCBAQV-XVBHLLIISA-N
Formula: C22H32O4
Molecular Weight: 360.487914
Exact Mass: 360.23006
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Lyder, D.L., Peter, S.R., Tinto, W.F., Bissada, S.M., McLean, S., Reynolds, W.F. J Nat Prod (1998) 61, 1462-5
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Vouacapanes; 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) | 32.2 |
| 2 (CH2) | 24.2 |
| 3 (CH2) | 30.8 |
| 4 (C) | 42.7 |
| 5 (C) | 76.6 |
| 6 (CH2) | 26.4 |
| 7 (CH2) | 17.8 |
| 8 (CH) | 34.4 |
| 9 (CH) | 38.1 |
| 10 (C) | 41.4 |
| 11 (CH2) | 22.2 |
| 12 (C) | 149.8 |
| 13 (C) | 122.8 |
| 14 (CH) | 31.4 |
| 15 (CH) | 109.6 |
| 16 (CH) | 140.6 |
| 17 (CH3) | 17.5 |
| 18 (CH3) | 21.1 |
| 19 (CH2) | 67.5 |
| 20 (CH3) | 16.9 |
| 19a (C) | 171.5 |
| 19b (CH3) | 21 |
