Spektraris NMR
Hedyosumin E
Common Name: Hedyosumin E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H30O8/c1-9-4-5-13-11(9)6-12-10(2)19(26)27-14(12)7-21(13,3)29-20-18(25)17(24)16(23)15(8-22)28-20/h4,11,13-18,20,22-25H,5-8H2,1-3H3/t11-,13+,14-,15+,16+,17-,18+,20-,21+/m0/s1
InChIKey: InChIKey=VABXQJHIONSXPQ-WDMSPEKYSA-N
Formula: C21H30O8
Molecular Weight: 410.458916
Exact Mass: 410.194068
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Su, Z.S., Yin, S., Zhou, Z.W., Wu, Y., Ding, J., Yue, J.M. J Nat Prod (2008) 71, 1410-3
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Guaianes; 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) | 53.2 |
| 2 (CH2) | 35 |
| 3 (CH) | 124.9 |
| 4 (C) | 145.3 |
| 5 (CH) | 49.7 |
| 6 (CH2) | 27.9 |
| 7 (C) | 164.8 |
| 8 (CH) | 82.9 |
| 9 (CH2) | 38.6 |
| 10 (C) | 82 |
| 11 (C) | 123.2 |
| 12 (C) | 178.7 |
| 13 (CH3) | 8.7 |
| 14 (CH3) | 27.9 |
| 15 (CH3) | 15.6 |
| 1' (CH) | 98.3 |
| 2' (CH) | 75.6 |
| 3' (CH) | 78 |
| 4' (CH) | 72.8 |
| 5' (CH) | 78.5 |
| 6' (CH2) | 63.9 |
