Spektraris NMR
Caesaldekarin K
Common Name: Caesaldekarin K
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C23H34O5/c1-6-28-22(4)15-8-12-23(25)20(2,10-7-11-21(23,3)19(24)26-5)17(15)14-18-16(22)9-13-27-18/h9,13,15,17,25H,6-8,10-12,14H2,1-5H3/t15-,17+,20-,21-,22+,23+/m1/s1
InChIKey: InChIKey=ZHQLIGJFVLXIBU-HPXPNKTOSA-N
Formula: C23H34O5
Molecular Weight: 390.513936
Exact Mass: 390.240624
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) | 18.7 |
| 3 (CH2) | 32 |
| 4 (C) | 49 |
| 5 (C) | 76.8 |
| 6 (CH2) | 27.7 |
| 7 (CH2) | 20 |
| 8 (CH) | 36 |
| 9 (CH) | 40.6 |
| 10 (C) | 42 |
| 11 (CH2) | 22.3 |
| 12 (C) | 151 |
| 13 (C) | 122.1 |
| 14 (C) | 77.3 |
| 15 (CH) | 107.7 |
| 16 (CH) | 140.9 |
| 17 (CH3) | 25.5 |
| 18 (CH3) | 23.9 |
| 19 (C) | 177.3 |
| 20 (CH3) | 15.1 |
| 14a (CH2) | 57.5 |
| 14b (CH3) | 16.1 |
| 19a (CH3) | 51.6 |
