Spektraris NMR
Caseamembrin L
Common Name: Caseamembrin L
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C31H46O9/c1-9-12-24(33)39-28-22-15-21(38-27(36)18(5)11-3)16-23-30(8,14-13-17(4)10-2)19(6)25(34)26(35)31(22,23)29(40-28)37-20(7)32/h10,15,18-19,21,23,25-26,28-29,34-35H,2,4,9,11-14,16H2,1,3,5-8H3/t18?,19-,21+,23+,25+,26+,28+,29-,30-,31-/m0/s1
InChIKey: InChIKey=BOVQULZBTRBINP-SFNDVPNUSA-N
Formula: C31H46O9
Molecular Weight: 562.692732
Exact Mass: 562.314183
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Shen, Y.C., Lee, C.L., Khalil, A.T., Cheng, Y.B., Chien, C.T., Kuo, Y.H. Helv Chim Acta (2005) 88, 68-77
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Clerodanes; 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) | 27 |
| 2 (CH) | 66.2 |
| 3 (CH) | 122.2 |
| 4 (C) | 144.9 |
| 5 (C) | 53.2 |
| 6 (CH) | 77.1 |
| 7 (CH) | 72.9 |
| 8 (CH) | 43.4 |
| 9 (C) | 38.7 |
| 10 (CH) | 36.3 |
| 11 (CH2) | 29.1 |
| 12 (CH2) | 23.9 |
| 13 (C) | 144.9 |
| 14 (CH) | 140.6 |
| 15 (CH2) | 112.1 |
| 16 (CH2) | 115.8 |
| 17 (CH3) | 11.7 |
| 18 (CH) | 98.4 |
| 19 (CH) | 95.5 |
| 20 (CH3) | 25.9 |
| 2a (C) | 175.8 |
| 2b (CH) | 41.3 |
| 2c (CH2) | 26.9 |
| 2d (CH3) | 11.7 |
| 2ba (CH3) | 16.7 |
| 18a (C) | 173.2 |
| 18b (CH2) | 36.3 |
| 18c (CH2) | 18.3 |
| 18d (CH3) | 13.5 |
| 19a (C) | 169.4 |
| 19b (CH3) | 21.3 |
