Spektraris NMR
Excoecarin S
Common Name: Excoecarin S
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H32O6/c1-7-19(5)14(21)10-13-18(4,11-15(22)23)12(17(2,3)16(24)25)8-9-20(13,6)26-19/h7,12-14,21H,1,8-11H2,2-6H3,(H,22,23)(H,24,25)/t12-,13+,14?,18-,19+,20+/m1/s1
InChIKey: InChIKey=XIFSGBXERHTHHK-LESJSHBHSA-N
Formula: C20H32O6
Molecular Weight: 368.465252
Exact Mass: 368.219889
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Konishi, T., Yamazoe, K., Konoshima, T., Fujiwara, Y. Phytochemistry (2003) 64, 835-40
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) | 40.6 |
| 2 (C) | 172.3 |
| 3 (C) | 180 |
| 4 (C) | 45.6 |
| 5 (CH) | 46.8 |
| 6 (CH2) | 22 |
| 7 (CH2) | 41.8 |
| 8 (C) | 75.5 |
| 9 (CH) | 42.6 |
| 10 (C) | 40.3 |
| 11 (CH2) | 24.9 |
| 12 (CH) | 67.5 |
| 13 (C) | 74.2 |
| 14 (CH) | 147.3 |
| 15 (CH2) | 110.4 |
| 16 (CH3) | 24.6 |
| 17 (CH3) | 24.4 |
| 18 (CH3) | 24.6 |
| 19 (CH3) | 25.8 |
| 20 (CH3) | 18.6 |
