Compound C21H25IO3

(8S,9S,11S,13S,14S)-17-(2-(125I)iodoethynyl)-11-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol

CAS: 73309-87-2

Molecular Formula	`C21H25IO3`
Molecular Weight	450.3 g/mol
LogP	3.8
Topological Polar Surface Area	49.7 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	3
Rotatable Bonds	2
Exact Mass	450.085
Heavy Atoms	25
Complexity	594.0

Chemical Identifiers

CAS Number	73309-87-2
SMILES	`CC12CC(C3C(C1CCC2(C#CI)O)CCC4=C3C=CC(=C4)O)OC`
InChIKey	`BOSIDMZYVBWUFU-OERCHQNLSA-N`

📖 Product Overview

Compound C21H25IO3 (CAS: 73309-87-2) is a chemical compound with molecular formula C21H25IO3 and molecular weight 450.3 g/mol. Its IUPAC systematic name is (8S,9S,11S,13S,14S)-17-(2-(125I)iodoethynyl)-11-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol. LogP 3.8 Topological Polar Surface Area 49.7 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 3 Rotatable Bonds 2 Exact Mass 450.085 Heavy Atoms 25 Complexity 594.0 InChI Key: BOSIDMZYVBWUFU-OERCHQNLSA-N. SMILES: CC12CC(C3C(C1CCC2(C#CI)O)CCC4=C3C=CC(=C4)O)OC.

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