Ambrox

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