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Estr-9(11)-ene-3,17-dione, 5,10-epoxy-, cyclic 3-(1,2-ethanediyl acetal), (5α,10α)-

Estr-9(11)-ene-3,17-dione, 5,10-epoxy-, cyclic 3-(1,2-ethanediyl acetal), (5α,10α)- structure

CAS No:
39931-87-8
Formula:
C20H26O4
Chemical Name:
Estr-9(11)-ene-3,17-dione, 5,10-epoxy-, cyclic 3-(1,2-ethanediyl acetal), (5α,10α)-
Synonyms:
Estr-9(11)-ene-3,17-dione,5,10-epoxy-,cyclic 3-(1,2-ethanediyl acetal),(5α,10α)-;Spiro[1,3-dioxolane-2,3′(17′H)-[5,10]epoxy[6H]cyclopenta[a]phenanthrene],estr-9(11)-ene-3,17-dione deriv.

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Description

Pale Yellow Solid

Estr-9(11)-ene-3,17-dione, 5,10-epoxy-, cyclic 3-(1,2-ethanediyl acetal), (5α,10α)- Basic Attributes

Molecular Weight：

330.41804

Exact Mass：

330.42

EC Number：

821-898-8

DSSTox ID：

DTXSID80444180

Characteristics

PSA：

48.1 Å²

XLogP3：

3.14670

Density：

1.29±0.1 g/cm3(Predicted)

Melting Point：

135-139°C

Storage Conditions：

Refrigerator

Safety Information

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P260, P261, P264, P270, P271, P272, P273, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P314, P321, P330, P333+P313, P337+P313, P363, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Estr-9(11)-ene-3,17-dione, 5,10-epoxy-, cyclic 3-(1,2-ethanediyl acetal), (5α,10α)- Use and Manufacturing

Intermediate in the preparation of Mifepristone metabolites.

Computed Properties

Molecular Weight:330.4
XLogP3:1.1
Hydrogen Bond Acceptor Count:4
Exact Mass:330.18310931
Monoisotopic Mass:330.18310931
Topological Polar Surface Area:48.1
Heavy Atom Count:24
Complexity:663
Defined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Learn More Other Chemicals

Pregna-1,4-diene-3,20-dione, 9-fluoro-11-hydroxy-16-methyl-17,21-bis(1-oxopropoxy)-, cyclic 3-(1,2-ethanediyl acetal), (11β,16β)- (9CI)

103437-26-9

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Guide of Estr-9(11)-ene-3,17-dione, 5,10-epoxy-, cyclic 3-(1,2-ethanediyl acetal), (5α,10α)-

Description
Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Learn More Other Chemicals

Estr-9(11)-ene-3,17-dione, 5,10-epoxy-, cyclic 3-(1,2-ethanediyl acetal), (5α,10α)-

SDS

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