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9,10-Secocholesta-5,7,10(19)-trien-3-ol, butanoate, (3β,5Z,7E)-

9,10-Secocholesta-5,7,10(19)-trien-3-ol, butanoate, (3β,5Z,7E)- structure

CAS No:
31316-20-8
Formula:
C31H50O2
Chemical Name:
9,10-Secocholesta-5,7,10(19)-trien-3-ol, butanoate, (3β,5Z,7E)-
Synonyms:
9,10-Secocholesta-5,7,10(19)-trien-3-ol,butanoate,(3β,5Z,7E)-;Cholecalciferol,butyrate
Categories:
Chemical Reagents > Organic Reagents

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9,10-Secocholesta-5,7,10(19)-trien-3-ol, butanoate, (3β,5Z,7E)- Basic Attributes

Molecular Weight：

454.7275

Exact Mass：

454.73

EC Number：

250-567-5

Characteristics

PSA：

26.3

XLogP3：

9.4

Density：

0.97±0.1 g/cm3(Predicted)

Safety Information

Precautionary statement(s)：

P260, P264, P270, P271, P273, P280, P284, P301+P310, P302+P352, P304+P340, P310, P312, P314, P320, P321, P322, P330, P361, P363, P403+P233, P405, P501

Hazard Statements：

H300

GHS Classification：

|Danger|H300 (100%): Fatal if swallowed [Danger Acute toxicity, oral]|P260, P264, P270, P271, P273, P280, P284, P301+P310, P302+P352, P304+P340, P310, P312, P314, P320, P321, P322, P330, P361, P363, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Drug Information

MeSH Entry Terms：

cholecalciferol butyrate

9,10-Secocholesta-5,7,10(19)-trien-3-ol, butanoate, (3β,5Z,7E)- Use and Manufacturing

Use Classification：

Lipids -> Sterol Lipids [ST] -> Secosteroids [ST03] -> Vitamin D3 and derivatives [ST0302]

Computed Properties

Molecular Weight:454.7
XLogP3:9.4
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:10
Exact Mass:454.381080833
Monoisotopic Mass:454.381080833
Topological Polar Surface Area:26.3
Heavy Atom Count:33
Complexity:742
Defined Atom Stereocenter Count:5
Defined Bond Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 9,10-Secocholesta-5,7,10(19)-trien-3-ol, butanoate, (3β,5Z,7E)-

Basic Attributes
Characteristics
Safety Information
Drug Information
Use and Manufacturing
Computed Properties
Latest News
Learn More Other Chemicals

9,10-Secocholesta-5,7,10(19)-trien-3-ol, butanoate, (3β,5Z,7E)-

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