Spektraris NMR
Casearlucin D
Common Name: Casearlucin D
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C31H44O9/c1-10-17(3)12-13-30(9)19(5)14-26(36-20(6)32)31-24(28(37-21(7)33)40-29(31)38-22(8)34)15-23(16-25(30)31)39-27(35)18(4)11-2/h10,15,18-19,23,25-26,28-29H,1,3,11-14,16H2,2,4-9H3/t18?,19-,23+,25+,26+,28+,29?,30-,31-/m0/s1
InChIKey: InChIKey=SVSGAQXPAAFAGR-ZKEBKVBPSA-N
Formula: C31H44O9
Molecular Weight: 560.67685
Exact Mass: 560.298533
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Sai Prakash, C.V., Hoch, J.M., Kingston, D.G. J Nat Prod (2002) 65, 100-7
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) | 26.8 |
| 2 (CH) | 66 |
| 3 (CH) | 123.3 |
| 4 (C) | 144.4 |
| 5 (C) | 52.3 |
| 6 (CH) | 73.9 |
| 7 (CH2) | 33.1 |
| 8 (CH) | 37.4 |
| 9 (C) | 37.1 |
| 10 (CH) | 36.9 |
| 11 (CH2) | 27.8 |
| 12 (CH2) | 23.8 |
| 13 (C) | 145 |
| 14 (CH) | 140.5 |
| 15 (CH2) | 112.3 |
| 16 (CH2) | 115.6 |
| 17 (CH3) | 15.8 |
| 18 (CH) | 95.2 |
| 19 (CH) | 98.2 |
| 20 (CH3) | 25.6 |
| 2a (C) | 176.6 |
| 2b (CH) | 41.3 |
| 2c (CH2) | 26.9 |
| 2d (CH3) | 11.8 |
| 2ba (CH3) | 16.7 |
| 6a (C) | 170.3 |
| 6b (CH3) | 21.6 |
| 18a (C) | 170.1 |
| 18b (CH3) | 21.4 |
| 19a (C) | 169.8 |
| 19b (CH3) | 21.3 |
