Spektraris NMR
CaseamembrinC
Common Name: CaseamembrinC
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C31H46O9/c1-9-11-24(33)39-28-22-15-21(38-25(34)14-17(3)4)16-23-30(8,13-12-18(5)10-2)19(6)26(35)27(36)31(22,23)29(40-28)37-20(7)32/h10,15,17,19,21,23,26-29,35-36H,2,5,9,11-14,16H2,1,3-4,6-8H3/t19-,21+,23+,26+,27+,28+,29-,30-,31-/m0/s1
InChIKey: InChIKey=ILADURIOBQRARJ-ZUPJMJIJSA-N
Formula: C31H46O9
Molecular Weight: 562.692732
Exact Mass: 562.314183
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Shen, Y.C., Wang, C.H., Cheng, Y.B., Wang, L.T., Guh, J.H., Chien, C.T., Khalil, A.T. J Nat Prod (2004) 67, 316-21
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) | 66.4 |
| 3 (CH) | 121.8 |
| 4 (C) | 144.8 |
| 5 (C) | 53.1 |
| 6 (CH) | 76.7 |
| 7 (CH) | 72.5 |
| 8 (CH) | 43.2 |
| 9 (C) | 38.6 |
| 10 (CH) | 36.2 |
| 11 (CH2) | 28.9 |
| 12 (CH2) | 23.8 |
| 13 (C) | 144.9 |
| 14 (CH) | 140.6 |
| 15 (CH2) | 112 |
| 16 (CH2) | 115.8 |
| 17 (CH3) | 11 |
| 18 (CH) | 95.5 |
| 19 (CH) | 98.6 |
| 20 (CH3) | 25.8 |
| 2a (C) | 173.3 |
| 2b (CH2) | 43.6 |
| 2c (CH) | 26.1 |
| 2d (CH3) | 22.2 |
| 2ca (CH3) | 22.3 |
| 18a (C) | 172.4 |
| 18b (CH2) | 36.2 |
| 18c (CH2) | 18.2 |
| 18d (CH3) | 13.4 |
| 19a (C) | 169.3 |
| 19b (CH3) | 21.3 |
