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163513-81-3 | Phenanthro[1,2-c]furan-1,6,9(3H)-trione, 3b,4,5,9b,10,11-hexahydro-9b-methyl-7-(1-methylethyl)-, (3bR,9bS)-
CAS No: 163513-81-3 Catalog No: AG001U6B MDL No:MFCD17214896
Product Description
Catalog Number:
AG001U6B
Chemical Name:
Phenanthro[1,2-c]furan-1,6,9(3H)-trione, 3b,4,5,9b,10,11-hexahydro-9b-methyl-7-(1-methylethyl)-, (3bR,9bS)-
CAS Number:
163513-81-3
Molecular Formula:
C20H22O4
Molecular Weight:
326.3863
MDL Number:
MFCD17214896
IUPAC Name:
(3bR,9bS)-9b-methyl-7-propan-2-yl-3,3b,4,5,10,11-hexahydronaphtho[2,1-e][2]benzofuran-1,6,9-trione
InChI:
InChI=1S/C20H22O4/c1-10(2)13-8-16(21)17-12(18(13)22)4-5-15-14-9-24-19(23)11(14)6-7-20(15,17)3/h8,10,15H,4-7,9H2,1-3H3/t15-,20-/m0/s1
InChI Key:
SZTABFBXCBBJRR-YWZLYKJASA-N
SMILES:
O=C1C=C(C(C)C)C(=O)C2=C1[C@@]1(C)CCC3=C([C@@H]1CC2)COC3=O
Properties
Complexity:
778
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
326.152g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
326.392g/mol
Monoisotopic Mass:
326.152g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
60.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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