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209253-80-5

209253-80-5 | Pregn-4-ene-7,21-dicarboxylic acid, 9,11-epoxy-6,17-dihydroxy-3-oxo-, γ-lactone, methyl ester, (6β,7α,11α,17α)-

CAS No: 209253-80-5 Catalog No: AG002K4Q MDL No:

Product Description

Catalog Number:
AG002K4Q
Chemical Name:
Pregn-4-ene-7,21-dicarboxylic acid, 9,11-epoxy-6,17-dihydroxy-3-oxo-, γ-lactone, methyl ester, (6β,7α,11α,17α)-
CAS Number:
209253-80-5
IUPAC Name:
methyl 8-hydroxy-2,15-dimethyl-5,5'-dioxospiro[18-oxapentacyclo[8.8.0.01,17.02,7.011,15]octadec-6-ene-14,2'-oxolane]-9-carboxylate
InChI:
InChI=1S/C24H30O7/c1-21-7-4-12(25)10-14(21)19(27)17(20(28)29-3)18-13-5-8-23(9-6-16(26)31-23)22(13,2)11-15-24(18,21)30-15/h10,13,15,17-19,27H,4-9,11H2,1-3H3
InChI Key:
DDHQRXOAZNEFKY-UHFFFAOYSA-N

Properties

Complexity:
940  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
430.199g/mol
Formal Charge:
0
Heavy Atom Count:
31  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
430.497g/mol
Monoisotopic Mass:
430.199g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
9  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  

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