Spektraris NMR
Caesaldekarin L Triacetate
Common Name: Caesaldekarin L Triacetate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H38O7/c1-8-18-9-10-19-23(26(18,7)30)20(32-16(3)28)13-21-24(19,5)12-11-22(33-17(4)29)25(21,6)14-31-15(2)27/h8-9,19-23,30H,1,10-14H2,2-7H3/t19-,20-,21+,22-,23-,24+,25+,26+/m0/s1
InChIKey: InChIKey=SGFRXWGRPVRKAX-WUZRRLPESA-N
Formula: C26H38O7
Molecular Weight: 462.576716
Exact Mass: 462.261754
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 : Cassanes; 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) | 36.2 |
| 2 (CH2) | 23.1 |
| 3 (CH) | 73.9 |
| 4 (C) | 40.4 |
| 5 (CH) | 43.8 |
| 6 (CH2) | 26.6 |
| 7 (CH) | 75.7 |
| 8 (CH) | 46.6 |
| 9 (CH) | 46 |
| 10 (C) | 36.5 |
| 11 (CH2) | 24.5 |
| 12 (CH) | 122.4 |
| 13 (C) | 141.1 |
| 14 (C) | 73.7 |
| 15 (CH) | 134.7 |
| 16 (CH2) | 114.2 |
| 17 (CH3) | 23.8 |
| 18 (CH3) | 13.6 |
| 19 (CH2) | 64.9 |
| 20 (CH3) | 14.8 |
| 3a (C) | 169.4 |
| 3b (CH3) | 20.9 |
| 7a (C) | 170.6 |
| 7b (CH3) | 21.2 |
| 19a (C) | 171 |
| 19b (CH3) | 21.6 |
