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94088-84-3 Purity
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96%
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16Alpha,17-epoxypregna-4,9(11)-diene-3,20-dione
CAS
94088-90-1
Catalog Number
ACM94088901
Category
Other Products
Molecular Weight
326.42934;g/mol
Molecular Formula
C21H26O3
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Specification
IUPAC Name
EINECS 302-093-6
Canonical SMILES
CC(=O)C12C(O1)CC3C2(CC=C4C3CCC5=CC(=O)CCC54C)C
InChI Key
IPXGZQHGJWTQTD-UERYMFTHSA-N
EC Number
302-093-6
Exact Mass
326.18800
What is the molecular formula of 16Alpha,17-epoxypregna-4,9(11)-diene-3,20-dione according to the reference?
The molecular formula is C21H26O3.
When was 16Alpha,17-epoxypregna-4,9(11)-diene-3,20-dione created and modified in PubChem?
It was created on 2009-08-20 and last modified on 2023-12-30.
What is the IUPAC name of 16Alpha,17-epoxypregna-4,9(11)-diene-3,20-dione?
(1S,2S,6S,7S,11S)-6-acetyl-7,11-dimethyl-5-oxapentacyclo[8.8.0.02,7.04,6.011,16]octadeca-9,15-dien-14-one.
What is the InChIKey of 16Alpha,17-epoxypregna-4,9(11)-diene-3,20-dione?
IPXGZQHGJWTQTD-DFBUTHPASA-N.
How many hydrogen bond acceptors does 16Alpha,17-epoxypregna-4,9(11)-diene-3,20-dione have?
It has 3 hydrogen bond acceptors.
What is the exact mass of 16Alpha,17-epoxypregna-4,9(11)-diene-3,20-dione?
The exact mass is 326.18819469 g/mol.
How many heavy atoms are present in 16Alpha,17-epoxypregna-4,9(11)-diene-3,20-dione?
There are 24 heavy atoms.
Is 16Alpha,17-epoxypregna-4,9(11)-diene-3,20-dione a canonicalized compound?
Yes, it is canonicalized.
What is the XLogP3-AA value of 16Alpha,17-epoxypregna-4,9(11)-diene-3,20-dione?
The XLogP3-AA value is 2.2.
What is the topological polar surface area of 16Alpha,17-epoxypregna-4,9(11)-diene-3,20-dione?
The topological polar surface area is 46.7 Ų.
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