Spektraris NMR
Excolabdone B
Common Name: Excolabdone B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C24H36O8/c1-9-21(6)12-15(27)24(29)22(7)16(30-13(2)25)10-11-20(4,5)18(22)17(31-14(3)26)19(28)23(24,8)32-21/h9,16-19,28-29H,1,10-12H2,2-8H3/t16-,17-,18-,19-,21-,22-,23+,24-/m0/s1
InChIKey: InChIKey=JSLBYYLMKKSQQW-AQLRWBRBSA-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 (CH) | 77.6 |
| 2 (CH2) | 24.2 |
| 3 (CH2) | 38.2 |
| 4 (C) | 34.1 |
| 5 (CH) | 44.2 |
| 6 (CH) | 73.4 |
| 7 (CH) | 73.6 |
| 8 (C) | 84.5 |
| 9 (C) | 83 |
| 10 (C) | 44.7 |
| 11 (C) | 202.6 |
| 12 (CH2) | 50 |
| 13 (C) | 76.4 |
| 14 (CH) | 148.1 |
| 15 (CH2) | 110.8 |
| 16 (CH3) | 31.1 |
| 17 (CH3) | 24 |
| 18 (CH3) | 33.4 |
| 19 (CH3) | 24.1 |
| 20 (CH3) | 20.7 |
| 1a (C) | 169.3 |
| 1b (CH3) | 22.2 |
| 6a (C) | 171.1 |
| 6b (CH3) | 22.4 |
