CAS
192211-42-0 Purity
98%
192211-42-0 Purity
98%
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Chlormadinone
CAS
1961-77-9
Catalog Number
ACM1961779
Category
Steroidal Compounds
Molecular Weight
362.8
Molecular Formula
C21H27ClO3
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Specification
Synonyms
(8R,9S,10R,13S,14S,17R)-17-acetyl-6-chloro-17-hydroxy-10,13-dimethyl-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-3-one;
IUPAC Name
(8R,9S,10R,13S,14S,17R)-17-acetyl-6-chloro-17-hydroxy-10,13-dimethyl-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-3-one
Canonical SMILES
CC(=O)C1(CCC2C1(CCC3C2C=C(C4=CC(=O)CCC34C)Cl)C)O
InChI Key
VUHJZBBCZGVNDZ-TTYLFXKOSA-N
Boiling Point
506.7ºC at 760 mmHg
Flash Point
260.2ºC
Density
1.24 g/cm³
EC Number
217-802-3
Exact Mass
362.16500
What is the molecular formula of Chlormadinone?
The molecular formula of Chlormadinone is C21H27ClO3.
When was Chlormadinone created?
Chlormadinone was created on November 20, 2005.
What is the molecular weight of Chlormadinone?
The molecular weight of Chlormadinone is 362.9 g/mol.
What is the CAS number of Chlormadinone?
The CAS number of Chlormadinone is 1961-77-9.
What is the IUPAC name of Chlormadinone?
The IUPAC name of Chlormadinone is (8R,9S,10R,13S,14S,17R)-17-acetyl-6-chloro-17-hydroxy-10,13-dimethyl-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-3-one.
What is the InChIKey of Chlormadinone?
The InChIKey of Chlormadinone is VUHJZBBCZGVNDZ-TTYLFXKOSA-N.
What is the Canonical SMILES of Chlormadinone?
The Canonical SMILES of Chlormadinone is CC(=O)C1(CCC2C1(CCC3C2C=C(C4=CC(=O)CCC34C)Cl)C)O.
How many hydrogen bond donor counts does Chlormadinone have?
Chlormadinone has 1 hydrogen bond donor count.
How many hydrogen bond acceptor counts does Chlormadinone have?
Chlormadinone has 3 hydrogen bond acceptor counts.
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