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3α,12α-Diacetoxy-5β-cholan-24-oicacidmethylester

3α,12α-Diacetoxy-5β-cholan-24-oicacidmethylester structure

CAS No:
1181-44-8
Formula:
C29H46O6
Chemical Name:
3α,12α-Diacetoxy-5β-cholan-24-oicacidmethylester
Synonyms:
3alpha,12alpha-Diacetoxy-5beta-cholan-24-oic acid methyl ester;5beta-Cholanic acid-3alpha,12alpha-diol diacetate,methyl ester;DTXSID401016022

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3α,12α-Diacetoxy-5β-cholan-24-oicacidmethylester Basic Attributes

Molecular Weight：

490.672

Exact Mass：

490.329437

Characteristics

PSA：

78.9

XLogP3：

6.91

Density：

1.1±0.1 g/cm3

Boiling Point：

531.0±35.0 °C at 760 mmHg

Flash Point：

221.2±26.0 °C

Refractive Index：

1.516

Computed Properties

Molecular Weight:490.7
XLogP3:6.4
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:9
Exact Mass:490.32943918
Monoisotopic Mass:490.32943918
Topological Polar Surface Area:78.9
Heavy Atom Count:35
Complexity:824
Defined Atom Stereocenter Count:10
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3α,12α-Diacetoxy-5β-cholan-24-oicacidmethylester

Basic Attributes
Characteristics
Computed Properties

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