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81957-73-5 | (3E,3aS,4S)-3-Butylidene-5,6,6',7'-tetrahydro-5β-propylspiro[3H-3aα,6α-ethanoisobenzofuran-4(1H),1'(3'H)-isobenzofuran]-1,3'-dione
CAS No: 81957-73-5 Catalog No: AG00GOJ4 MDL No:
Product Description
Catalog Number:
AG00GOJ4
Chemical Name:
(3E,3aS,4S)-3-Butylidene-5,6,6',7'-tetrahydro-5β-propylspiro[3H-3aα,6α-ethanoisobenzofuran-4(1H),1'(3'H)-isobenzofuran]-1,3'-dione
CAS Number:
81957-73-5
IUPAC Name:
(1S,2E,7R,8S,9S)-2-butylidene-8-propylspiro[3-oxatricyclo[5.2.2.01,5]undec-5-ene-9,3'-4,5-dihydro-2-benzofuran]-1',4-dione
InChI:
InChI=1S/C24H28O4/c1-3-5-11-20-23-13-12-15(14-19(23)22(26)27-20)17(8-4-2)24(23)18-10-7-6-9-16(18)21(25)28-24/h6,9,11,14-15,17H,3-5,7-8,10,12-13H2,1-2H3/b20-11+/t15-,17+,23+,24+/m1/s1
InChI Key:
DZMFTLLDUYBHLI-FSEWZPIJSA-N
NSC Number:
382181
Properties
Complexity:
873
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
1
Exact Mass:
380.199g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
380.484g/mol
Monoisotopic Mass:
380.199g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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