Spektraris NMR
Caesalmin C
Common Name: Caesalmin C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H34O8/c1-13-17-9-11-31-19(17)12-18-21(13)22(33-15(3)28)23(34-16(4)29)26(30)24(5,6)10-8-20(25(18,26)7)32-14(2)27/h9,11,18,20-23,30H,1,8,10,12H2,2-7H3/t18-,20-,21-,22+,23-,25-,26+/m0/s1
InChIKey: InChIKey=LNEQDVOGNPILGB-WOWNGYFCSA-N
Formula: C26H34O8
Molecular Weight: 474.544358
Exact Mass: 474.225368
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Jiang, R.W., Ma, S.C., But, P.P., Mak, T.C. J Nat Prod (2001) 64, 1266-72
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 (CH) | 75.04 |
| 2 (CH2) | 22.02 |
| 3 (CH2) | 32.3 |
| 4 (C) | 38.5 |
| 5 (C) | 79.25 |
| 6 (CH) | 75.24 |
| 7 (CH) | 75.59 |
| 8 (CH) | 41.57 |
| 9 (CH) | 37.97 |
| 10 (C) | 44.48 |
| 11 (CH2) | 23.2 |
| 12 (C) | 150.49 |
| 13 (C) | 119.76 |
| 14 (C) | 138.44 |
| 15 (CH) | 106.5 |
| 16 (CH) | 141.98 |
| 17 (CH2) | 105.6 |
| 18 (CH3) | 30.7 |
| 19 (CH3) | 25.03 |
| 20 (CH3) | 17.05 |
| 1a (C) | 169.09 |
| 1b (CH3) | 21.43 |
| 6a (C) | 170.79 |
| 6b (CH3) | 21.35 |
| 7a (C) | 170.79 |
| 7b (CH3) | 21.75 |
