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Regelin

Regelin structure

CAS No:
109974-21-2
Formula:
C31H48O4
Chemical Name:
Regelin
Synonyms:
Urs-12-en-30-oic acid,22-hydroxy-3-oxo-,methyl ester,(22α)-;Regelin;(+)-Regelin

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Regelin Basic Attributes

Molecular Weight：

484.7 g/mol

Exact Mass：

484.71

Characteristics

PSA：

63.6 Å²

Drug Information

MeSH Entry Terms：

methyl 3-oxo-22-hydroxyurs-12-en-30-oic acid

Computed Properties

Molecular Weight:484.7
XLogP3:6.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:484.35526001
Monoisotopic Mass:484.35526001
Topological Polar Surface Area:63.6
Heavy Atom Count:35
Complexity:965
Defined Atom Stereocenter Count:9
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of Regelin

Basic Attributes
Characteristics
Drug Information
Computed Properties

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