Spektraris NMR
Excolabdone A
Common Name: Excolabdone A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C24H36O8/c1-9-21(6)12-17(28)24(29)22(7)11-16(30-13(2)25)19(31-14(3)26)20(4,5)18(22)15(27)10-23(24,8)32-21/h9,15-16,18-19,27,29H,1,10-12H2,2-8H3/t15-,16-,18-,19-,21-,22-,23+,24-/m0/s1
InChIKey: InChIKey=XACYGKRCJGBYTB-KSNSWAPDSA-N
Formula: C24H36O8
Molecular Weight: 452.538768
Exact Mass: 452.241018
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Yang, J.H., Luo, S.D., Zhao, J.F., Wang, Y.S., Huang, R., Zhang, H.B., Li, L. Helv Chim Acta (2005) 88, 968-73
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Labdanes; 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) | 70.1 |
| 3 (CH) | 75.5 |
| 4 (C) | 43.3 |
| 5 (CH) | 42.6 |
| 6 (CH) | 73.6 |
| 7 (CH2) | 36.8 |
| 8 (C) | 81.3 |
| 9 (C) | 82.7 |
| 10 (C) | 34.2 |
| 11 (C) | 206.7 |
| 12 (CH2) | 49.7 |
| 13 (C) | 75.8 |
| 14 (CH) | 147.5 |
| 15 (CH2) | 110 |
| 16 (CH3) | 30.8 |
| 17 (CH3) | 23.6 |
| 18 (CH3) | 32.7 |
| 19 (CH3) | 23.5 |
| 20 (CH3) | 20 |
| 2a (C) | 170.4 |
| 2b (CH3) | 21.1 |
| 3a (C) | 170.2 |
| 3b (CH3) | 20.8 |
