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Reference substances

Currently viewing:
IUPAC name:
1-((3R,3aR,7R,8aS)-3,6,8,8-tetramethyl-2,3,4,7,8,8a-hexahydro-1H-3a,7-methanoazulen-5-yl)ethanone

Inventory

EC number:
251-020-3
EC name:
[3R-(3α,3aβ,7β,8aα)]-1-(2,3,4,7,8,8a-hexahydro-3,6,8,8-tetramethyl-1H-3a,7-methanoazulen-5-yl)ethan-1-one
CAS number:
32388-55-9
CAS number:
32388-55-9
Synonyms
Names:
Ethanone, 1-(2,3,4,7,8,8a-hexahydro- 3,6,8,8-tetramethyl-1H-3a,7-methanoazulen-5-yl)- , [3R-(3?,3aß,7ß,8a?)]-
Ethanone, 1-[(3R,3aR,7R,8aS)-2,3,4,7,8,8a-hexahydro-3,6,8,8-tetramethyl-1H-3a,7-methanoazulen-5-yl]-
Identifier:
IUPAC name
1-cedr-8-en-9-ylethanone
Identifier:
other: InChl
1S/C17H26O/c1-10-6-7-15-16(4,5)14-9-17(10,15)8-13(11(14)2)12(3)18/h10,14-15H,6-9H2,1-5H3/t10-,14+,15+,17+/m1/s1
Identifier:
other: SMILES notation
CC(=O)C=1CC23CC(C=1C)C(C)(C)C3CCC2C
Identifier:
other: SMILES notation
C[C@@H]1CC[C@H]2C(C)(C)[C@H]3C[C@@]12CC(=C3C)C(=O)C
Identifier:
other: SMILES notation
C[C@@H]1CC[C@H]2C(C)(C)[C@H]3C[C@@]12CC(C(C)=O)=C3C
Identifier:
other: InChl
InChI=1/C17H26O/c1-10-6-7-15-16(4,5)14-9-17(10,15)8-13(11(14)2)12(3)18/h10,14-15H,6-9H2,1-5H3

Molecular and structural information

Molecular formula:
C17H26O
Molecular weight:
246
SMILES notation:
[H][C@]13C[C@@]2(CC(C(C)=O)=C1C)[C@H](C)CC[C@@]2([H])C3(C)C
InChl:
1/C17H26O/c1-10-6-7-15-16(4,5)14-9-17(10,15)8-13(11(14)2)12(3)18/h10,14-15H,6-9H2,1-5H3
Structural formula:
Chemical structure

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