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2102-23-0 | 2H-Indeno[5,4-f]quinolin-2-one, 7-acetyl-1,3,4,4a,4b,5,6,6a,7,8,9,9a,9b,10-tetradecahydro-1,4a,6a-trimethyl-, (4aR,4bS,6aS,7S,9aS,9bS)-
CAS No: 2102-23-0 Catalog No: AG002KMU MDL No:
Product Description
Catalog Number:
AG002KMU
Chemical Name:
2H-Indeno[5,4-f]quinolin-2-one, 7-acetyl-1,3,4,4a,4b,5,6,6a,7,8,9,9a,9b,10-tetradecahydro-1,4a,6a-trimethyl-, (4aR,4bS,6aS,7S,9aS,9bS)-
CAS Number:
2102-23-0
Molecular Formula:
C21H31NO2
Molecular Weight:
329.4763
IUPAC Name:
1-acetyl-6,9a,11a-trimethyl-2,3,3a,3b,4,8,9,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-7-one
InChI:
InChI=1S/C21H31NO2/c1-13(23)15-6-7-16-14-5-8-18-21(3,12-10-19(24)22(18)4)17(14)9-11-20(15,16)2/h8,14-17H,5-7,9-12H2,1-4H3
InChI Key:
HQWPPVLSHLFTDY-UHFFFAOYSA-N
SMILES:
CC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC=C2[C@]1(C)CCC(=O)N2C
NSC Number:
38723
Properties
Complexity:
623
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
329.235g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
329.484g/mol
Monoisotopic Mass:
329.235g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
6
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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