Spektraris NMR
Sesquiterpene HM-1x
Common Name: Sesquiterpene HM-1x
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H26O6/c1-6-10(2)18(22)25-15-9-20(5)16(21)8-13(26-20)11(3)7-14-17(15)12(4)19(23)24-14/h6-7,13-17,21H,4,8-9H2,1-3,5H3/b10-6-,11-7-/t13-,14-,15-,16+,17+,20-/m1/s1
InChIKey: InChIKey=UEFXHAIMDIUNBV-PFEJDDOESA-N
Formula: C20H26O6
Molecular Weight: 362.417607
Exact Mass: 362.172939
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Herz, W., Kumar, N. Phytochemistry (1981) 20, 93
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Germacranes; 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) | 76 |
| 2 (CH2) | 37.2 |
| 3 (CH) | 76.5 |
| 4 (C) | 143.8 |
| 5 (CH) | 123.2 |
| 6 (CH) | 74.4 |
| 7 (CH) | 45.3 |
| 8 (CH) | 73.1 |
| 9 (CH2) | 38 |
| 10 (C) | 73.5 |
| 11 (C) | 137 |
| 12 (C) | 170.3 |
| 13 (CH2) | 123.5 |
| 14 (CH3) | 31 |
| 15 (CH3) | 21.5 |
| 8a (C) | 166.7 |
| 8b (C) | 127.1 |
| 8c (CH) | 139.5 |
| 8d (CH3) | 15.7 |
| 8e (CH3) | 20.2 |
