 Home > Encyclopedia > [(3S,4S)-3-bromo-1,2,3,4-tetrahydrochrysen-4-yl] 2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetate

[(3S,4S)-3-bromo-1,2,3,4-tetrahydrochrysen-4-yl] 2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetate

[(3S,4S)-3-bromo-1,2,3,4-tetrahydrochrysen-4-yl] 2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetate structure

CAS No:
80124-35-2
Formula:
C30H35BrO3
Chemical Name:
[(3S,4S)-3-bromo-1,2,3,4-tetrahydrochrysen-4-yl] 2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetate
Synonyms:
80124-35-2;Acetic acid, ((5-methyl-2-(1-methylethyl)cyclohexyl)oxy)-, 3-bromo-1,2,3,4-tetrahydro-4-chrysenyl ester, (1R-(1alpha(3S*,4S*),2beta,5alpha))-

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[(3S,4S)-3-bromo-1,2,3,4-tetrahydrochrysen-4-yl] 2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetate Basic Attributes

Molecular Weight：

523.5 g/mol

Exact Mass：

522.17696 g/mol

Characteristics

PSA：

35.5 Å²

XLogP3：

7.7644

Melting Point：

103 - 104 °C (methanol)

Computed Properties

Molecular Weight:523.5
XLogP3:8.7
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:6
Exact Mass:522.17696
Monoisotopic Mass:522.17696
Topological Polar Surface Area:35.5
Heavy Atom Count:34
Complexity:695
Defined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of [(3S,4S)-3-bromo-1,2,3,4-tetrahydrochrysen-4-yl] 2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetate

Basic Attributes
Characteristics
Computed Properties
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