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Estr-4-en-3-one,17-(3-cyclopentyl-1-oxopropoxy)-, (17b)-(CAS No. 601-63-8)

Estr-4-en-3-one,17-(3-cyclopentyl-1-oxopropoxy)-, (17b)- C26H38O3 (cas 601-63-8) Molecular Structure

601-63-8 Structure

Identification and Related Records

【Name】
Estr-4-en-3-one,17-(3-cyclopentyl-1-oxopropoxy)-, (17b)-
【Iupac name】
(13-methyl-3-oxo-2,6,7,8,9,10,11,12,14,15,16,
17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)
3-cyclopentylpropanoate
【CAS Registry number】
601-63-8
【Synonyms】
Estr-4-en-3-one,17b-hydroxy-, cyclopentanepropionate(6CI,8CI)
Cyclopentanepropionic acid, ester with 17b-hydroxyestr-4-en-3-one (8CI)
17b-Hydroxyestr-4-en-3-onecyclopentanepropionate
NSC 40578
Nandrolone cypionate
Nortestosteronecyclopentanepropionate
Nortestosterone cypionate
【EINECS(EC#)】
210-006-7
【Molecular Formula】
C26H38O3 (Products with the same molecular formula)
【Molecular Weight】
398.58
【Inchi】
InChI=1/C26H38O3/c1-26-15-14-21-20-10-8-19(27)16-18(20)7-9-22(21)23(26)11-12-24(26)29-25(28)13-6-17-4-2-3-5-17/h16-17,20-24H,2-15H2,1H3/t20-,21+,22+,23-,24-,26-/m0/s1
【Canonical SMILES】
CC12CCC3C(C1CCC2OC(=O)CCC4CCCC4)CCC5=CC(=O)CCC35
【MOL File】
601-63-8.mol

Chemical and Physical Properties

【Density】
1.11g/cm3
【Boiling Point】
525°C at 760 mmHg
【Refractive Index】
1.548
【Flash Point】
224.8°C
【Computed Properties】
Molecular Weight:398.57812 [g/mol]
Molecular Formula:C26H38O3
XLogP3:5.7
H-Bond Donor:0
H-Bond Acceptor:3
Rotatable Bond Count:5
Tautomer Count:8
Exact Mass:398.282095
MonoIsotopic Mass:398.282095
Topological Polar Surface Area:43.4
Heavy Atom Count:29
Formal Charge:0
Complexity:688
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:6
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1

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