 Home > Encyclopedia > (10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl) 2-(3-ethenylimidazol-1-ium-1-yl)acetate

(10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl) 2-(3-ethenylimidazol-1-ium-1-yl)acetate

(10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl) 2-(3-ethenylimidazol-1-ium-1-yl)acetate structure

CAS No:
82571-86-6
Formula:
C26H35N2O3+
Chemical Name:
(10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl) 2-(3-ethenylimidazol-1-ium-1-yl)acetate
Synonyms:
82571-86-6;NSC370101;DTXSID00331124;NSC-370101;(10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl) 2-(3-ethenylimidazol-1-ium-1-yl)acetate

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(10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl) 2-(3-ethenylimidazol-1-ium-1-yl)acetate Basic Attributes

Molecular Weight：

423.6 g/mol

Exact Mass：

423.26476798 g/mol

NSC Number：

370101

DSSTox ID：

DTXSID00331124

Characteristics

PSA：

52.2 Å²

Computed Properties

Molecular Weight:423.6
XLogP3:4.5
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:423.26476798
Monoisotopic Mass:423.26476798
Topological Polar Surface Area:52.2
Heavy Atom Count:31
Formal Charge:1
Complexity:807
Undefined Atom Stereocenter Count:6
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of (10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl) 2-(3-ethenylimidazol-1-ium-1-yl)acetate

Basic Attributes
Characteristics
Computed Properties
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