Spektraris NMR
Incanone
Common Name: Incanone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H28O5/c1-10(21)8-11-16(23)14-12(22)9-13-19(2,3)6-5-7-20(13,4)15(14)18(25)17(11)24/h10,13,21,23-25H,5-9H2,1-4H3/t10?,13-,20-/m0/s1
InChIKey: InChIKey=FRMSDUBHDPSWOE-SGEJJKBPSA-N
Formula: C20H28O5
Molecular Weight: 348.434084
Exact Mass: 348.193674
NMR Solvent: CD3COCD3
MHz:
Calibration:
NMR references: 13C - Gao, J.J., Han, G.Q. Phytochemistry (1997) 44, 759-61
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Lanugons; 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 (CH2) | 37.2 |
| 2 (CH2) | 19.6 |
| 3 (CH2) | 41.8 |
| 4 (C) | 33.9 |
| 5 (CH) | 50.8 |
| 6 (CH2) | 35.8 |
| 7 (C) | 204.9 |
| 8 (C) | 109.2 |
| 9 (C) | 136.5 |
| 10 (C) | 40.9 |
| 11 (C) | 136.8 |
| 12 (C) | 158.1 |
| 13 (C) | 111.3 |
| 14 (C) | 153.2 |
| 15 (CH2) | 31.7 |
| 16 (CH) | 69.6 |
| 17 (CH3) | 22.8 |
| 18 (CH3) | 33.4 |
| 19 (CH3) | 21.8 |
| 20 (CH3) | 17.9 |
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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.