Home Other Building Blocks 9,19-Cyclolanostan-3-ol, 24-methylene-,3-(4-hydroxy-3-methoxyphenyl)-2-propenoate, (3b)-

9,19-Cyclolanostan-3-ol, 24-methylene-,3-(4-hydroxy-3-methoxyphenyl)-2-propenoate, (3b)-

CAS No.:
469-36-3
Catalog Number:
AG00DE9I
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG00DE9I
Chemical Name:
9,19-Cyclolanostan-3-ol, 24-methylene-,3-(4-hydroxy-3-methoxyphenyl)-2-propenoate, (3b)-
CAS Number:
469-36-3
MDL Number:
MFCD09028035
IUPAC Name:
[(1S,3R,6S,8R,11S,15R,16R)-7,7,11,16-tetramethyl-15-[(2R)-6-methyl-5-methylideneheptan-2-yl]-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
InChI:
InChI=1S/C41H60O4/c1-26(2)27(3)10-11-28(4)30-14-16-34-38(30,7)22-23-41-25-40(41)21-19-35(37(5,6)33(40)18-20-39(34,41)8)45-36(43)17-13-29-12-15-31(42)32(24-29)44-9/h12-13,15,17,24,26,28,30,33-35,42H,3,10-11,14,16,18-23,25H2,1-2,4-9H3/b17-13+/t28-,30-,33+,34?,35+,38-,39+,40-,41+/m1/s1
InChI Key:
ZIWPYEIAPMTNTE-WTHHACQLSA-N
Properties
Complexity:
1170  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
8  
Defined Bond Stereocenter Count:
1  
Exact Mass:
616.449g/mol
Formal Charge:
0
Heavy Atom Count:
45  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
616.927g/mol
Monoisotopic Mass:
616.449g/mol
Rotatable Bond Count:
10  
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
12.6  
Properties