Spektraris NMR
Caesaldekarin A
Common Name: Caesaldekarin A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H32O4/c1-13-15-7-10-25-18(15)12-17-16(13)11-19(26-14(2)23)22(24)20(3,4)8-6-9-21(17,22)5/h7,10,13,16-17,19,24H,6,8-9,11-12H2,1-5H3/t13-,16-,17-,19+,21+,22+/m0/s1
InChIKey: InChIKey=ALHFWFVPZTXDOE-WKPPJLGDSA-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) | 34.6 |
| 2 (CH2) | 18.2 |
| 3 (CH2) | 38.1 |
| 4 (C) | 38.9 |
| 5 (C) | 76.2 |
| 6 (CH) | 72.3 |
| 7 (CH2) | 31.4 |
| 8 (CH) | 30.4 |
| 9 (CH) | 37.9 |
| 10 (C) | 41.4 |
| 11 (CH2) | 21.7 |
| 12 (C) | 149.5 |
| 13 (C) | 122.3 |
| 14 (CH) | 31.1 |
| 15 (CH) | 109.4 |
| 16 (CH) | 140.3 |
| 17 (CH3) | 17.6 |
| 18 (CH3) | 27.6 |
| 19 (CH3) | 25.7 |
| 20 (CH3) | 16.5 |
| 6a (C) | 169.8 |
| 6b (CH3) | 21.8 |
