Registration Dossier

Reference substances

Reference substances

IUPAC name:
[3R-(3α,3aβ,6α,7β,8aα)]-octahydro-3,6,8,8-tetramethyl-1H-3a,7-methanoazulen-5-yl acetate

Inventory

EC number:
201-036-1
EC name:
[3R-(3α,3aβ,6α,7β,8aα)]-octahydro-3,6,8,8-tetramethyl-1H-3a,7-methanoazulen-5-yl acetate
CAS number:
77-54-3
CAS number:
77-54-3
Synonyms
Names:
(3R,3aS,6R,7R,8aS)-3,6,8,8-tetramethyloctahydro-1H-3a,7-methanoazulen-6-yl acetate
(8alpha)-cedran-8-yl acetate
Identifier:
IUPAC name
(3R,3aS,6R,7R,8aS)-3,6,8,8-tetramethyloctahydro-1H-3a,7-methanoazulen-6-yl acetate
[3R-(3α,3aβ,6α,7β,8aα)]-octahydro-3,6,8,8-tetramethyl-1H-3a,7-methanoazulen-5-yl acetate

Molecular and structural information

Molecular formula:
C17H28O2
Molecular weight:
264.4
SMILES notation:
CC(=O)O[C@]3(C)CCC12C[C@@H]3C(C)(C)[C@@H]2CC[C@H]1C
InChl:
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
Structural formula:
Chemical structure

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