Spektraris NMR
Sesquiterpene-ES-VIb
Common Name: Sesquiterpene-ES-VIb
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H26O6/c1-6-10(2)19(23)26-18-16-13(5)20(24)25-15(16)9-12(4)14(21)8-7-11(3)17(18)22/h6-7,9,14-18,21-22H,5,8H2,1-4H3/b10-6-,11-7+,12-9+/t14-,15+,16-,17+,18-/m0/s1
InChIKey: InChIKey=BXFQVBKJGJTIAT-MWOOYEKASA-N
Formula: C20H26O6
Molecular Weight: 362.417607
Exact Mass: 362.172939
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Herz, W., Kulanthaivel, P. Phytochemistry (1982) 21, 2475
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) | 122.9 |
| 2 (CH2) | 34.5 |
| 3 (CH) | 74.8 |
| 4 (C) | 143.6 |
| 5 (CH) | 127.7 |
| 6 (CH) | 75 |
| 7 (CH) | 49.2 |
| 8 (CH) | 78.5 |
| 9 (CH) | 76.5 |
| 10 (C) | 137 |
| 11 (C) | 136.3 |
| 12 (C) | 168.7 |
| 13 (CH2) | 121.3 |
| 14 (CH3) | 13.1 |
| 15 (CH3) | 11.8 |
| 8a (C) | 165.9 |
| 8b (C) | 127.2 |
| 8c (CH) | 137.2 |
| 8d (CH3) | 20.1 |
| 8e (CH3) | 15.3 |
