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32388-55-9 | 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 No: AG003RZT MDL No:MFCD00792860
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:
MFCD00792860
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 |
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