Ambroxan

CAS	6790-58-5
Structure
Synonyms	1,5,5,9-Tetramethyl-13-oxatricyclo[8.3.0.0(4,9)]tridecane
IUPAC Name	(3aR,5aS,9aS,9bR)-3a,6,6,9a-Tetramethyl-2,4,5,5a,7,8,9,9b-octahydro-1H-benzo[e][1]benzofuran
Molecular Weight	236.39
Canonical SMILES	CC1(CCCC2(C1CCC3(C2CCO3)C)C)C
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
InChI Key	YPZUZOLGGMJZJO-LQKXBSAESA-N
Boiling Point	273.9±8.0 °C
Melting Point	74-76 °C
Purity	95%+
Density	0.939 g/mL at 25 °C(lit.)
Solubility	Insoluble in water
Exact Mass	236.214015512
Isomeric SMILES	C[C@]12CCCC([C@@H]1CC[C@@]3([C@@H]2CCO3)C)(C)C
Monoisotopic Mass	236.214015512
Physical State	Crystalline powder
Storage Conditions	Dry place,Room Temperature
Topological Polar Surface Area	9.2 Ų