Spektraris NMR
ZINC31163144
Common Name: ZINC31163144
Synonyms: ZINC31163144
CAS Registry Number:
InChI: InChI=1S/C17H22O5/c1-9-5-6-14(21-11(3)18)16(4)8-17(20)13(7-12(9)16)10(2)15(19)22-17/h12,14,20H,1,5-8H2,2-4H3/t12-,14+,16+,17-/m0/s1
InChIKey: InChIKey=DDHXERAMOVJOAJ-JFOHDYCDSA-N
Formula: C17H22O5
Molecular Weight: 306.354231
Exact Mass: 306.146724
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Ulubelen, A., Goren, N., Bohlmann, F., Jakupovic, J., Grenz, M., Tanker, N. Phytochemistry (1985) 24, 1305-8
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Eudesmanes; 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) | 79.8 |
| 2 (CH2) | 23.7 |
| 3 (CH2) | 27 |
| 4 (C) | 146 |
| 5 (CH) | 49.5 |
| 6 (CH2) | 32.2 |
| 7 (C) | 159.9 |
| 8 (C) | 103.1 |
| 9 (CH2) | 47.2 |
| 10 (C) | 39.9 |
| 11 (C) | 122.4 |
| 12 (C) | 170.6 |
| 13 (CH3) | 8.2 |
| 14 (CH3) | 11.7 |
| 15 (CH2) | 108.6 |
| 8a (C) | 172.1 |
| 8b (CH3) | 21 |
