Cedranyl acetate

CAS	77-54-3
Structure
Synonyms	Acetic acid, cedrol ester
IUPAC Name	[(1S,2R,5S,7R,8R)-2,6,6,8-Tetramethyl-8-tricyclo[5.3.1.01,5]undecanyl] acetate
Molecular Weight	264.4
Canonical SMILES	CC1CCC2C13CCC(C(C3)C2(C)C)(C)OC(=O)C
InChI	InChI=1S/C17H28O2/c1-11-6-7-13-15(3,4)14-10-17(11,13)9-8-16(14,5)19-12(2)18/h11,13-14H,6-10H2,1-5H3/t11-,13+,14-,16-,17+/m1/s1
InChI Key	HQKQRXZEXPXXIG-DTWJZALFSA-N
Boiling Point	>200 °C
Melting Point	44-46 °C
Flash Point	200 °F
Purity	98%+
Density	0.999 g/mL at 25 °C(lit.)
Exact Mass	264.208930132
Isomeric SMILES	C[C@@H]1CC[C@@H]2[C@]13CC[C@@]([C@H](C3)C2(C)C)(C)OC(=O)C
Monoisotopic Mass	264.208930132
Physical State	Liquid
Refractive Index	n20/D 1.499(lit.)
Storage Conditions	2-8 °C
Topological Polar Surface Area	26.3 Ų