Spektraris NMR
Excoagallochaol B
Common Name: Excoagallochaol B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H36O4/c1-17(2,23)15(21)6-9-18(3)11-14-13(18)5-8-19(4)12-20(14,24)10-7-16(19)22/h13-16,21-24H,5-12H2,1-4H3/t13-,14+,15?,16-,18-,19-,20+/m1/s1
InChIKey: InChIKey=BOAYJHNBWWHEFY-LBSNTEMBSA-N
Formula: C20H36O4
Molecular Weight: 340.498205
Exact Mass: 340.26136
NMR Solvent: C5D5N
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) | 71.6 |
| 2 (CH) | 42.7 |
| 3 (CH2) | 34.5 |
| 4 (C) | 36.7 |
| 5 (CH) | 47.3 |
| 6 (CH2) | 22.4 |
| 7 (CH2) | 36.4 |
| 8 (C) | 37.7 |
| 9 (CH) | 73.3 |
| 10 (CH2) | 27.8 |
| 11 (CH2) | 37 |
| 12 (CH2) | 38.7 |
| 13 (CH3) | 21.4 |
| 14 (CH2) | 38.9 |
| 15 (CH3) | 31.7 |
| 16 (CH2) | 27.5 |
| 17 (CH) | 79.5 |
| 18 (C) | 72.5 |
| 19 (CH3) | 25.7 |
| 20 (CH3) | 25.7 |
