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125282-11-3

125282-11-3 | 23-Hydroxy-4,8-dimethyl-16,24-cyclo-D(17a)-homo-21-nor-17a-oxa-5α-chola-16,20(22),23-triene-4β-carbaldehyde

CAS No: 125282-11-3 Catalog No: AG00AI0S MDL No:

Product Description

Catalog Number:
AG00AI0S
Chemical Name:
23-Hydroxy-4,8-dimethyl-16,24-cyclo-D(17a)-homo-21-nor-17a-oxa-5α-chola-16,20(22),23-triene-4β-carbaldehyde
CAS Number:
125282-11-3
IUPAC Name:
(1R,2S,11S,14R,15R,19S,20R)-6-hydroxy-1,11,15,19-tetramethyl-10-oxapentacyclo[12.8.0.02,11.04,9.015,20]docosa-4(9),5,7-triene-19-carbaldehyde
InChI:
InChI=1S/C26H36O3/c1-23(16-27)10-5-11-24(2)20(23)8-12-25(3)21(24)9-13-26(4)22(25)15-17-14-18(28)6-7-19(17)29-26/h6-7,14,16,20-22,28H,5,8-13,15H2,1-4H3/t20-,21+,22-,23+,24-,25+,26-/m0/s1
InChI Key:
KIBWCMOCIQTVKZ-PZLSHCGPSA-N

Properties

Complexity:
677  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
7  
Defined Bond Stereocenter Count:
0
Exact Mass:
396.266g/mol
Formal Charge:
0
Heavy Atom Count:
29  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
396.571g/mol
Monoisotopic Mass:
396.266g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.3  

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