Spektraris NMR
Casearlucin F
Common Name: Casearlucin F
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C29H42O7/c1-9-17(3)11-13-28(8)19(5)12-14-29-23(26(33-20(6)30)36-27(29)34-21(7)31)15-22(16-24(28)29)35-25(32)18(4)10-2/h9,11,15,18-19,22,24,26-27H,1,10,12-14,16H2,2-8H3/b17-11+/t18?,19-,22+,24+,26+,27?,28-,29-/m0/s1
InChIKey: InChIKey=SPOXAGODQDGSAM-HNQVSXCBSA-N
Formula: C29H42O7
Molecular Weight: 502.640687
Exact Mass: 502.293054
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) | 25.8 |
| 2 (CH) | 66.4 |
| 3 (CH) | 120.5 |
| 4 (C) | 147.1 |
| 5 (C) | 49.1 |
| 6 (CH2) | 29.2 |
| 7 (CH2) | 27.5 |
| 8 (CH) | 34.7 |
| 9 (C) | 36.7 |
| 10 (CH) | 37.5 |
| 11 (CH2) | 30.4 |
| 12 (CH) | 129.3 |
| 13 (C) | 135.7 |
| 14 (CH) | 141.4 |
| 15 (CH2) | 110.9 |
| 16 (CH3) | 12.1 |
| 17 (CH3) | 15.7 |
| 18 (CH) | 94.6 |
| 19 (CH) | 98.9 |
| 20 (CH3) | 25.7 |
| 2a (C) | 176.1 |
| 2b (CH) | 41.3 |
| 2c (CH2) | 26.9 |
| 2d (CH3) | 11.8 |
| 2ba (CH3) | 16.7 |
| 18a (C) | 170.4 |
| 18b (CH3) | 21.5 |
| 19a (C) | 169.8 |
| 19b (CH3) | 21.3 |
