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APOCHOLIC ACID

CAS No.:
641-81-6
Catalog Number:
AG00EFXE
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG00EFXE
Chemical Name:
APOCHOLIC ACID
CAS Number:
641-81-6
MDL Number:
MFCD00003622
IUPAC Name:
(4R)-4-[(3R,5R,9R,10S,12S,13R,17R)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
InChI:
InChI=1S/C24H38O4/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3/h14-16,18,20-21,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15-,16-,18-,20+,21+,23+,24-/m1/s1
InChI Key:
XWJTYEGVQBFZHI-IMPNNSMHSA-N
UNII:
MZW7515V5Z
Properties
Complexity:
670  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
8  
Defined Bond Stereocenter Count:
0
Exact Mass:
390.277g/mol
Formal Charge:
0
Heavy Atom Count:
28  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
390.564g/mol
Monoisotopic Mass:
390.277g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
77.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5  
Properties