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Home > Other Heterocycles > 77820-41-8
77820-41-8 | (1R,3S,6S)-3-[(1S,2S,5S)-1,2,3,4,5,6-Hexahydro-2,5-dimethyl-3-oxopentalen-1-yl]-3,7,7-trimethylbicyclo[4.1.0]heptane-2,4-dione
CAS No: 77820-41-8 Catalog No: AG00GH01 MDL No:
Product Description
Catalog Number:
AG00GH01
Chemical Name:
(1R,3S,6S)-3-[(1S,2S,5S)-1,2,3,4,5,6-Hexahydro-2,5-dimethyl-3-oxopentalen-1-yl]-3,7,7-trimethylbicyclo[4.1.0]heptane-2,4-dione
CAS Number:
77820-41-8
IUPAC Name:
(1R,3S,6S)-3-[(1S,2S,5S)-2,5-dimethyl-3-oxo-2,4,5,6-tetrahydro-1H-pentalen-1-yl]-3,7,7-trimethylbicyclo[4.1.0]heptane-2,4-dione
InChI:
InChI=1S/C20H26O3/c1-9-6-11-12(7-9)17(22)10(2)15(11)20(5)14(21)8-13-16(18(20)23)19(13,3)4/h9-10,13,15-16H,6-8H2,1-5H3/t9-,10-,13-,15-,16-,20+/m0/s1
InChI Key:
NHBBYXIXBPPEDQ-UOTCEEBFSA-N
Properties
Complexity:
683
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
6
Defined Bond Stereocenter Count:
0
Exact Mass:
314.188g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
314.425g/mol
Monoisotopic Mass:
314.188g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
51.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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