Spektraris NMR
Ambrox
Common Name: Ambrox
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C16H28O/c1-14(2)8-5-9-15(3)12(14)6-10-16(4)13(15)7-11-17-16/h12-13H,5-11H2,1-4H3/t12-,13+,15-,16+/m0/s1
InChIKey: InChIKey=YPZUZOLGGMJZJO-LQKXBSAESA-N
Formula: C16H28O1
Molecular Weight: 236.39352
Exact Mass: 236.214016
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Hanson, J.R., Truneh, A. Phytochemistry (1996) 42, 1021-3
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Labdanes; 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) | 39.9 |
| 2 (CH2) | 18.4 |
| 3 (CH2) | 42.4 |
| 4 (C) | 33.1 |
| 5 (CH) | 57.2 |
| 6 (CH2) | 20.6 |
| 7 (CH2) | 39.7 |
| 8 (C) | 79.9 |
| 9 (CH) | 60.1 |
| 10 (C) | 36.2 |
| 11 (CH2) | 22.6 |
| 12 (CH2) | 65 |
| 17 (CH3) | 21.1 |
| 18 (CH3) | 33.6 |
| 19 (CH3) | 21.1 |
| 20 (CH3) | 15 |
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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.