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(13S,14S)-3-hydroxy-4-methoxy-13-methyl-12,14,15,16-tetrahydro-11H-cyclopenta[a]phenanthren-17-one

(13S,14S)-3-hydroxy-4-methoxy-13-methyl-12,14,15,16-tetrahydro-11H-cyclopenta[a]phenanthren-17-one structure

CAS No:
116506-50-4
Formula:
C19H20O3
Chemical Name:
(13S,14S)-3-hydroxy-4-methoxy-13-methyl-12,14,15,16-tetrahydro-11H-cyclopenta[a]phenanthren-17-one
Synonyms:
3-Hydroxy-4-methoxyestra-1,3,5,7,9-pentaen-17-one; Estra-1,3,5,7,9-pentaen-17-one,3-hydroxy-4-methoxy; 4-methoxyequilenin;

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(13S,14S)-3-hydroxy-4-methoxy-13-methyl-12,14,15,16-tetrahydro-11H-cyclopenta[a]phenanthren-17-one Basic Attributes

Molecular Weight：

296.36000

Exact Mass：

296.14124450

Characteristics

PSA：

46.53000

XLogP3：

3.95300

Density：

1.243g/cm3

Boiling Point：

492.8ºC at 760mmHg

Flash Point：

180.4ºC

Refractive Index：

1.642

Vapor Pressure：

2.46E-10mmHg at 25°C

Drug Information

MeSH Entry Terms：

4-methoxyequilenin

Computed Properties

Molecular Weight:296.4
XLogP3:3.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:296.14124450
Monoisotopic Mass:296.14124450
Topological Polar Surface Area:46.5
Heavy Atom Count:22
Complexity:462
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of (13S,14S)-3-hydroxy-4-methoxy-13-methyl-12,14,15,16-tetrahydro-11H-cyclopenta[a]phenanthren-17-one

Basic Attributes
Characteristics
Drug Information
Computed Properties

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