 Home > Encyclopedia > 2-[(8S,9S,10R,13S,14S,17R)-17-hydroxy-10,13-dimethyl-3,11-dioxo-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl]-2-oxoacetaldehyde

2-[(8S,9S,10R,13S,14S,17R)-17-hydroxy-10,13-dimethyl-3,11-dioxo-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl]-2-oxoacetaldehyde

2-[(8S,9S,10R,13S,14S,17R)-17-hydroxy-10,13-dimethyl-3,11-dioxo-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl]-2-oxoacetaldehyde structure

CAS No:
16574-04-2
Formula:
C21H26O5
Chemical Name:
2-[(8S,9S,10R,13S,14S,17R)-17-hydroxy-10,13-dimethyl-3,11-dioxo-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl]-2-oxoacetaldehyde
Synonyms:
21-dehydrocortisone;NSC323237;16574-04-2;CHEBI:78596;DTXSID80317966;ZINC5663266;NSC-323237;Pregn-4-en-21-al,11,20-trioxo-;17-hydroxy-3,11,20-trioxopregn-4-en-21-al;4-pregnen-17alpha-ol-3,11,20-trione-21-al;17alpha-hydroxypregn-4-en-3,11,20-trione-21-al;Q27147862

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Description

21-dehydrocortisone is a C21-steroid that is cortisone in which the 21-hydroxy group has been oxidised to the corresponding aldehyde. It is a 21-oxo steroid, a 17alpha-hydroxy steroid, a 20-oxo steroid, a 3-oxo-Delta(4) steroid, a C21-steroid, an 11-oxo steroid, a steroid aldehyde and a tertiary alpha-hydroxy ketone. It derives from a progesterone. It derives from a hydride of a 5alpha-pregnane.

2-[(8S,9S,10R,13S,14S,17R)-17-hydroxy-10,13-dimethyl-3,11-dioxo-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl]-2-oxoacetaldehyde Basic Attributes

Molecular Weight：

358.4 g/mol

Exact Mass：

358.17802393 g/mol

NSC Number：

323237

DSSTox ID：

DTXSID80317966

Characteristics

PSA：

88.5 Å²

Computed Properties

Molecular Weight:358.4
XLogP3:1.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:358.17802393
Monoisotopic Mass:358.17802393
Topological Polar Surface Area:88.5
Heavy Atom Count:26
Complexity:752
Defined Atom Stereocenter Count:6
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-[(8S,9S,10R,13S,14S,17R)-17-hydroxy-10,13-dimethyl-3,11-dioxo-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl]-2-oxoacetaldehyde

Description
Basic Attributes
Characteristics
Computed Properties

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