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(5α,6α)-Epoxy-17α-hydroxy-pregnane-3,20-dione-3,20-bis(ethyleneketal)

(5α,6α)-Epoxy-17α-hydroxy-pregnane-3,20-dione-3,20-bis(ethyleneketal) structure

CAS No:
3496-78-4
Formula:
C25H38O6
Chemical Name:
(5α,6α)-Epoxy-17α-hydroxy-pregnane-3,20-dione-3,20-bis(ethyleneketal)
Synonyms:
DTXSID20747703;ZINC77292109;(4aR,5aS,6aS,6bS,9R,9aS,11aS,11bR)-9a,11b-Dimethyl-9-(2-methyl-1,3-dioxolan-2-yl)tetradecahydro-4H-spiro[cyclopenta[1,2]phenanthro[8a,9-b]oxirene-3,2"-[1,3]dioxolan]-9-ol

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Description

White Solid

(5α,6α)-Epoxy-17α-hydroxy-pregnane-3,20-dione-3,20-bis(ethyleneketal) Basic Attributes

Molecular Weight：

434.56562

Exact Mass：

434.267

DSSTox ID：

DTXSID20747703

Characteristics

PSA：

69.7

XLogP3：

2.5

Density：

1.28±0.1 g/cm3(Predicted)

Melting Point：

216-218.5 °C

(5α,6α)-Epoxy-17α-hydroxy-pregnane-3,20-dione-3,20-bis(ethyleneketal) Use and Manufacturing

A byproduct formed during Medroxyprogesteron synthesis.

Computed Properties

Molecular Weight:434.6
XLogP3:2.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:1
Exact Mass:434.26683893
Monoisotopic Mass:434.26683893
Topological Polar Surface Area:69.7
Heavy Atom Count:31
Complexity:789
Defined Atom Stereocenter Count:8
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of (5α,6α)-Epoxy-17α-hydroxy-pregnane-3,20-dione-3,20-bis(ethyleneketal)

Description
Basic Attributes
Characteristics
Use and Manufacturing
Computed Properties

(5α,6α)-Epoxy-17α-hydroxy-pregnane-3,20-dione-3,20-bis(ethyleneketal)

SDS

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