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Home Other Building Blocks 1-((3R,3aR,7R,8aS)-3,6,8,8-Tetramethyl-2,3,4,7,8,8a-hexahydro-1H-3a,7-methanoazulen-5-yl)ethanone

1-((3R,3aR,7R,8aS)-3,6,8,8-Tetramethyl-2,3,4,7,8,8a-hexahydro-1H-3a,7-methanoazulen-5-yl)ethanone

CAS No.:
32388-55-9
Catalog Number:
AG003RZT
Molecular Formula:
C17H26O
Molecular Weight:
246.3877
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
65%(GC)
In Stock USA
United States
$155
- +
5g
65%(GC)
In Stock USA
United States
$483
- +
Product Description
Catalog Number:
AG003RZT
Chemical 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
CAS Number:
32388-55-9
Molecular Formula:
C17H26O
Molecular Weight:
246.3877
MDL Number:
MFCD03410252
IUPAC Name:
1-[(1R,2R,5S,7R)-2,6,6,8-tetramethyl-9-tricyclo[5.3.1.01,5]undec-8-enyl]ethanone
InChI:
InChI=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
InChI Key:
YBUIAJZFOGJGLJ-SWRJLBSHSA-N
SMILES:
CC(=O)C1=C(C)[C@@H]2C[C@@]3(C1)[C@H](C)CC[C@H]3C2(C)C
EC Number:
251-020-3
UNII:
X6I62755AK
Properties
Complexity:
443  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
4  
Defined Bond Stereocenter Count:
0
Exact Mass:
246.198g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
246.394g/mol
Monoisotopic Mass:
246.198g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4  
Literature
Title Journal
Fate and effects of acetyl cedrene in sediments inhabited by different densities of the deposit feeder, Capitella teleta. Environmental toxicology and chemistry 20121101
Investigation of the fate and effects of acetyl cedrene on Capitella teleta and sediment bacterial community. Ecotoxicology (London, England) 20100801
Evaluation of the developmental toxicity of acetyl cedrene. International journal of toxicology 20060101
Properties