 Home > Encyclopedia > (4S,7aR)-1-[(2S,3S,4Z)-3-Hydroxy-6-(methoxymethoxy)-6-methyl-4-he pten-2-yl]-7a-methyloctahydro-1H-inden-4-yl benzoate

(4S,7aR)-1-[(2S,3S,4Z)-3-Hydroxy-6-(methoxymethoxy)-6-methyl-4-he pten-2-yl]-7a-methyloctahydro-1H-inden-4-yl benzoate

(4S,7aR)-1-[(2S,3S,4Z)-3-Hydroxy-6-(methoxymethoxy)-6-methyl-4-he pten-2-yl]-7a-methyloctahydro-1H-inden-4-yl benzoate structure

CAS No:
100937-70-0
Formula:
C27H40O5
Chemical Name:
(4S,7aR)-1-[(2S,3S,4Z)-3-Hydroxy-6-(methoxymethoxy)-6-methyl-4-he pten-2-yl]-7a-methyloctahydro-1H-inden-4-yl benzoate
Synonyms:
Cholest-5-ene-3|A,22-diol; 22R-hydroxycholesterol; (22R)-22-hydroxycholesterol; cholest-5-en-3beta,22-diol; 22S,23S-28-homobrassinolide; 22S,23S-homobrassinolide; 22(S)-hydroxycholesterol; Cholest-5-ene-3beta,22-diol; 22-Hydroxycholesterol; (22S)-22-Hydroxycholesterol;Expand

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(4S,7aR)-1-[(2S,3S,4Z)-3-Hydroxy-6-(methoxymethoxy)-6-methyl-4-he pten-2-yl]-7a-methyloctahydro-1H-inden-4-yl benzoate Basic Attributes

Molecular Weight：

444.60400

Exact Mass：

444.28757437

Characteristics

PSA：

64.99000

XLogP3：

5.38070

Density：

1.099g/cm3

Boiling Point：

533.865ºC at 760 mmHg

Flash Point：

167.567ºC

Refractive Index：

1.538

Vapor Pressure：

0mmHg at 25°C

Computed Properties

Molecular Weight:444.6
XLogP3:5.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:10
Exact Mass:444.28757437
Monoisotopic Mass:444.28757437
Topological Polar Surface Area:65
Heavy Atom Count:32
Complexity:638
Defined Atom Stereocenter Count:4
Undefined Atom Stereocenter Count:2
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of (4S,7aR)-1-[(2S,3S,4Z)-3-Hydroxy-6-(methoxymethoxy)-6-methyl-4-he pten-2-yl]-7a-methyloctahydro-1H-inden-4-yl benzoate

Basic Attributes
Characteristics
Computed Properties
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