Spektraris NMR
Excoagallochaol C
Common Name: Excoagallochaol C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H34O3/c1-13(2)16(21)6-9-18(3)11-15-14(18)5-8-19(4)12-20(15,23)10-7-17(19)22/h14-17,21-23H,1,5-12H2,2-4H3/t14-,15+,16?,17-,18-,19-,20+/m1/s1
InChIKey: InChIKey=ZAAFDYBTFOHBOD-UILDOUNPSA-N
Formula: C20H34O3
Molecular Weight: 322.482918
Exact Mass: 322.250795
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Wang, J.D., Zhang, W., Li, Z.Y., Xiang, W.S., Guo, Y.W., Krohn, K. Phytochemistry (2007) 68, 2426-31
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Miscellanea; 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 (C) | 72.5 |
| 2 (CH) | 41.6 |
| 3 (CH2) | 33.1 |
| 4 (C) | 36.7 |
| 5 (CH) | 47.1 |
| 6 (CH2) | 22 |
| 7 (CH2) | 36 |
| 8 (C) | 37.5 |
| 9 (CH) | 73.9 |
| 10 (CH2) | 27 |
| 11 (CH2) | 35.8 |
| 12 (CH2) | 38.3 |
| 13 (CH3) | 21.3 |
| 14 (CH2) | 36.6 |
| 15 (CH3) | 30 |
| 16 (CH2) | 30.4 |
| 17 (CH) | 76.6 |
| 18 (C) | 147.6 |
| 19 (CH3) | 17.5 |
| 20 (CH2) | 111.2 |
