Spektraris NMR
Cistanin
Common Name: Cistanin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C9H14O4/c10-6-3-5-1-2-12-8-7(5)9(6,11)4-13-8/h5-8,10-11H,1-4H2/t5-,6+,7+,8+,9-/m0/s1
InChIKey: InChIKey=JEOPUSJCPYFSMM-CBHQDSPSSA-N
Formula: C9H14O4
Molecular Weight: 186.205413
Exact Mass: 186.089209
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Kobayashi, H., Karasawa, H., Miyase, T., Fukushima, S. Chem Pharm Bull (1984) 32, 1729-34
Species:
Notes: Family : Terpenoids, Type : Monoterpenoids, Group : Iridoids; 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) | 101.4 |
| 3 (CH2) | 55.5 |
| 4 (CH2) | 25 |
| 5 (CH) | 26.9 |
| 6 (CH2) | 37 |
| 7 (CH) | 79.2 |
| 8 (C) | 88.7 |
| 9 (CH) | 47.1 |
| 10 (CH2) | 71.5 |
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The Spektraris NMR database is developed and hosted by the Lange laboratory at WSU. CAS Registry Number is a Registered Trademark of the American Chemical Society.