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79503-62-1 | 4-Methoxy-5-methyl-6-[(1E,3E,5E)-6-[(1R,8S)-4α,8-dihydroxy-1α,3,5α,7α-tetramethyl-2,6-dioxabicyclo[3.2.1]octan-3α-yl]-1,3,5-hexatrienyl]-2H-pyran-2-one
CAS No: 79503-62-1 Catalog No: AG00GHAR MDL No:
Product Description
Catalog Number:
AG00GHAR
Chemical Name:
4-Methoxy-5-methyl-6-[(1E,3E,5E)-6-[(1R,8S)-4α,8-dihydroxy-1α,3,5α,7α-tetramethyl-2,6-dioxabicyclo[3.2.1]octan-3α-yl]-1,3,5-hexatrienyl]-2H-pyran-2-one
CAS Number:
79503-62-1
IUPAC Name:
6-[(1E,3E,5E)-6-[(1R,3R,4S,5S,7R)-4,8-dihydroxy-1,3,5,7-tetramethyl-2,6-dioxabicyclo[3.2.1]octan-3-yl]hexa-1,3,5-trienyl]-4-methoxy-5-methylpyran-2-one
InChI:
InChI=1S/C23H30O7/c1-14-16(28-18(24)13-17(14)27-6)11-9-7-8-10-12-21(3)19(25)23(5)20(26)22(4,30-21)15(2)29-23/h7-13,15,19-20,25-26H,1-6H3/b8-7+,11-9+,12-10+/t15-,19+,20?,21-,22+,23+/m1/s1
InChI Key:
BHMIDMOHWXULQB-NXIHKJPGSA-N
Properties
Complexity:
867
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
5
Defined Bond Stereocenter Count:
3
Exact Mass:
418.199g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
418.486g/mol
Monoisotopic Mass:
418.199g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
94.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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