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75083-45-3 | METHYL (2E)-2-(10,13-DIMETHYL-3,11-DIOXO-6,7,8,9,12,14,15,16-OCTAHYDROCYCLOPENTA[A]PHENANTHREN-17-YLIDENE)ACETATE
CAS No: 75083-45-3 Catalog No: AG005ECZ MDL No:
Product Description
Catalog Number:
AG005ECZ
Chemical Name:
METHYL (2E)-2-(10,13-DIMETHYL-3,11-DIOXO-6,7,8,9,12,14,15,16-OCTAHYDROCYCLOPENTA[A]PHENANTHREN-17-YLIDENE)ACETATE
CAS Number:
75083-45-3
Molecular Formula:
C22H26O4
Molecular Weight:
354.4394
IUPAC Name:
methyl 2-(10,13-dimethyl-3,11-dioxo-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-ylidene)acetate
InChI:
InChI=1S/C22H26O4/c1-21-9-8-15(23)10-13(21)4-6-16-17-7-5-14(11-19(25)26-3)22(17,2)12-18(24)20(16)21/h8-11,16-17,20H,4-7,12H2,1-3H3
InChI Key:
ZRBBCVQLZFVRCK-UHFFFAOYSA-N
SMILES:
COC(=O)/C=C/1\CCC2C1(C)CC(=O)C1C2CCC2=CC(=O)C=CC12C
Properties
Complexity:
786
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
354.183g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
354.446g/mol
Monoisotopic Mass:
354.183g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
60.4A^2
Undefined Atom Stereocenter Count:
5
Undefined Bond Stereocenter Count:
1
XLogP3:
2.7
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