CAS
955-53-3 Purity
96%
955-53-3 Purity
96%
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17-Methyl-estra-3,5-diene-3,17beta-diol diacetate
CAS
95564-05-9
Catalog Number
ACM95564059
Category
Other Products
Molecular Weight
372.50
Molecular Formula
C23H32O4
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Specification
Synonyms
CTK5H7855, 95564-05-9, 17-METHYL-ESTRA-3,5-DIENE-3,17-DIOL DIACETATE
IUPAC Name
[(8R,9S,10R,13S,14S)-17-acetyloxy-13,17-dimethyl-2,7,8,9,10,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
Canonical SMILES
CC(=O)OC1=CC2=CCC3C(C2CC1)CCC4(C3CCC4(C)OC(=O)C)C
InChI Key
BIDIOYAGBBRDHK-YPKGYTRTSA-N
Appearance
Pale Yellow Solid
Exact Mass
372.23000
H-Bond Acceptor
4
H-Bond Donor
0
What is the molecular formula of 17-Methyl-estra-3,5-diene-3,17beta-diol diacetate?
The molecular formula is C23H32O4.
What is the molecular weight of 17-Methyl-estra-3,5-diene-3,17beta-diol diacetate?
The molecular weight is 372.5 g/mol.
When was 17-Methyl-estra-3,5-diene-3,17beta-diol diacetate created?
It was created on October 28, 2017.
What is the canonical SMILES for 17-Methyl-estra-3,5-diene-3,17beta-diol diacetate?
The canonical SMILES is CC(=O)OC1=CC2=CCC3C(C2CC1)CCC4(C3CCC4(C)OC(=O)C)C.
How many Hydrogen Bond Acceptor Count does 17-Methyl-estra-3,5-diene-3,17beta-diol diacetate have?
It has 4 hydrogen bond acceptor counts.
What is the topological polar surface area of 17-Methyl-estra-3,5-diene-3,17beta-diol diacetate?
The topological polar surface area is 52.6 Å2.
Is 17-Methyl-estra-3,5-diene-3,17beta-diol diacetate a Covalently-Bonded Unit?
Yes, it is a covalently-bonded unit.
How many Defined Atom Stereocenter Counts does 17-Methyl-estra-3,5-diene-3,17beta-diol diacetate have?
It has 5 defined atom stereocenter counts.
What is the Exact Mass of 17-Methyl-estra-3,5-diene-3,17beta-diol diacetate?
The exact mass is 372.23005950 g/mol.
What is the IUPAC Name of 17-Methyl-estra-3,5-diene-3,17beta-diol diacetate?
The IUPAC name is [(8R,9R,10R,13S,14R)-17-acetyloxy-13,17-dimethyl-2,7,8,9,10,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate.
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