CAS
969-13-1 Purity
95%+
969-13-1 Purity
95%+
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21-Desacetyl Anecortave
CAS
10184-70-0
Catalog Number
ACM10184700
Category
Steroidal Compounds
Molecular Weight
344.44
Molecular Formula
C21H28O4
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Specification
Canonical SMILES
C[C@H]12CCC(=O)C=C1CC[C@@H]3C2=CC[C@H]4([C@H]3CC[C@@]4(C(=O)CO)O)C
Melting Point
224-226 °C
What is the molecular formula of 21-Desacetyl anecortave?
The molecular formula of 21-Desacetyl anecortave is C21H28O4.
What is the molecular weight of 21-Desacetyl anecortave?
The molecular weight of 21-Desacetyl anecortave is 344.4 g/mol.
What is the IUPAC name of 21-Desacetyl anecortave?
The IUPAC name of 21-Desacetyl anecortave is (8S,10S,13S,14S,17R)-17-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,6,7,8,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-3-one.
What is the InChI of 21-Desacetyl anecortave?
The InChI of 21-Desacetyl anecortave is InChI=1S/C21H28O4/c1-19-8-5-14(23)11-13(19)3-4-15-16(19)6-9-20(2)17(15)7-10-21(20,25)18(24)12-22/h6,11,15,17,22,25H,3-5,7-10,12H2,1-2H3/t15-,17+,19+,20+,21+/m1/s1.
What is the InChIKey of 21-Desacetyl anecortave?
The InChIKey of 21-Desacetyl anecortave is BCFCRXOJOFDUMZ-ONKRVSLGSA-N.
What is the Canonical SMILES of 21-Desacetyl anecortave?
The Canonical SMILES of 21-Desacetyl anecortave is CC12CCC(=O)C=C1CCC3C2=CCC4(C3CCC4(C(=O)CO)O)C.
What is the synonym for 21-Desacetyl anecortave?
One synonym for 21-Desacetyl anecortave is Anecortave.
What is the CAS number of 21-Desacetyl anecortave?
The CAS number of 21-Desacetyl anecortave is 10184-70-0.
What is the XLogP3-AA value of 21-Desacetyl anecortave?
The XLogP3-AA value of 21-Desacetyl anecortave is 2.
How many hydrogen bond acceptor counts does 21-Desacetyl anecortave have?
21-Desacetyl anecortave has 4 hydrogen bond acceptor counts.
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