(20S)-3-Oxopregna-1,4-diene-20-carboxylic acid
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(20S)-3-Oxopregna-1,4-diene-20-carboxylic acid
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CAS No:
20248-18-4
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Formula:
C22H30O3
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Chemical Name:
(20S)-3-Oxopregna-1,4-diene-20-carboxylic acid
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Synonyms:
Pregna-1,4-diene-20-carboxylic acid,3-oxo-,(20S)-;Pregna-1,4-diene-20α-carboxylic acid,3-oxo-;(20S)-3-Oxopregna-1,4-diene-20-carboxylic acid;3-Oxo-23,24-dinor-1,4-choladienic acid
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CAS No:
Description
ChEBI: A steroid acid that is 23,24-bisnor-chol-1,4-dien-22-oic acid bearing an additional oxo substituent at position 3.
3-oxo-23,24-bisnorchola-1,4-dien-22-oic acid is a steroid acid that is 23,24-bisnor-chol-1,4-dien-22-oic acid bearing an additional oxo substituent at position 3. It is a steroid acid and a 3-oxo-Delta(1),Delta(4)-steroid. It is a conjugate acid of a 3-oxo-23,24-bisnorchola-1,4-dien-22-oate(1-). It derives from a hydride of a pregnane.
Computed Properties
Molecular Weight:342.5
XLogP3:5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:342.21949481
Monoisotopic Mass:342.21949481
Topological Polar Surface Area:54.4
Heavy Atom Count:25
Complexity:675
Defined Atom Stereocenter Count:7
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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(20S)-3-Oxopregna-1,4-diene-20-carboxylic acid
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