CAS
94424-70-1 Purity
96%
94424-70-1 Purity
96%
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9,11Alpha-epoxy-17-hydroxypregn-4-ene-3,20-dione 17-acetate
CAS
94425-51-1
Catalog Number
ACM94425511
Category
Other Products
Molecular Weight
386.4813;g/mol
Molecular Formula
C23H30O5
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Specification
Synonyms
EINECS 305-311-8;
IUPAC Name
9,11alpha-Epoxy-17-hydroxypregn-4-ene-3,20-dione 17-acetate
Canonical SMILES
CC(=O)C1(CCC2C1(CC3C4(C2CCC5=CC(=O)CCC54C)O3)C)OC(=O)C
InChI Key
UHRIXJLDCNOZKI-WBIUVFFSSA-N
EC Number
305-311-8
Exact Mass
386.20900
What is the molecular formula of the compound?
The molecular formula of the compound is C23H30O5.
What are some synonyms for the compound?
Some synonyms for the compound include EINECS 305-311-8, DTXSID40915543, and 3,20-Dioxo-9,11-epoxypregn-4-en-17-yl acetate.
When was the compound first created?
The compound was first created on August 20, 2009.
What is the molecular weight of the compound?
The molecular weight of the compound is 386.5 g/mol.
What is the IUPAC name of the compound?
The IUPAC name of the compound is [(2S,10S,11S,14R,15S,17R)-14-acetyl-2,15-dimethyl-5-oxo-18-oxapentacyclo[8.8.0.0 1,17 .0 2,7 .0 11,15 ]octadec-6-en-14-yl] acetate.
What is the InChIKey of the compound?
The InChIKey of the compound is UHRIXJLDCNOZKI-FTQODURBSA-N.
How many hydrogen bond acceptors does the compound have?
The compound has 5 hydrogen bond acceptors.
What is the topological polar surface area of the compound?
The topological polar surface area of the compound is 73 Ų.
How many defined atom stereocenters does the compound have?
The compound has 6 defined atom stereocenters.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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