Spektraris NMR
Excolabdone C
Common Name: Excolabdone C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H34O7/c1-8-19(5)11-14(25)22(27)20(6)13(24)9-10-18(3,4)16(20)15(28-12(2)23)17(26)21(22,7)29-19/h8,13,15-17,24,26-27H,1,9-11H2,2-7H3/t13-,15-,16-,17-,19-,20-,21+,22-/m0/s1
InChIKey: InChIKey=CLOQVZCSBYBUPB-KGGHGJDLSA-N
Formula: C22H34O7
Molecular Weight: 410.50201
Exact Mass: 410.230453
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) | 73.6 |
| 2 (CH2) | 27 |
| 3 (CH2) | 37 |
| 4 (C) | 34.1 |
| 5 (CH) | 42.8 |
| 6 (CH) | 73.1 |
| 7 (CH) | 73.1 |
| 8 (C) | 83.1 |
| 9 (C) | 82.8 |
| 10 (C) | 43.3 |
| 11 (C) | 207.1 |
| 12 (CH2) | 49.7 |
| 13 (C) | 75.3 |
| 14 (CH) | 148.1 |
| 15 (CH2) | 109.5 |
| 16 (CH3) | 30.3 |
| 17 (CH3) | 23.2 |
| 18 (CH3) | 32.8 |
| 19 (CH3) | 23.3 |
| 20 (CH3) | 20 |
| 6a (C) | 170.3 |
| 6b (CH3) | 21.6 |
