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149598-69-6 | 2H-Pyran-2-one, 6-(14,19-dihydroxy-3,5,9,11,13,15,17-heptamethyl-12-oxo-1,3,7,9,17-nonadecapentaenyl)-5,6-dihydro-5-methyl- (9CI)
CAS No: 149598-69-6 Catalog No: AG001LUQ MDL No:
Product Description
Catalog Number:
AG001LUQ
Chemical Name:
2H-Pyran-2-one, 6-(14,19-dihydroxy-3,5,9,11,13,15,17-heptamethyl-12-oxo-1,3,7,9,17-nonadecapentaenyl)-5,6-dihydro-5-methyl- (9CI)
CAS Number:
149598-69-6
Molecular Formula:
C32H48O5
Molecular Weight:
512.7205
IUPAC Name:
2-(14,19-dihydroxy-3,5,9,11,13,15,17-heptamethyl-12-oxononadeca-1,3,7,9,17-pentaenyl)-3-methyl-2,3-dihydropyran-6-one
InChI:
InChI=1S/C32H48O5/c1-21(18-23(3)12-14-29-25(5)13-15-30(34)37-29)10-9-11-22(2)19-26(6)31(35)28(8)32(36)27(7)20-24(4)16-17-33/h9,11-16,18-19,21,25-29,32-33,36H,10,17,20H2,1-8H3
InChI Key:
LMXMVUQKOHQTKA-UHFFFAOYSA-N
SMILES:
OCC=C(CC(C(C(C(=O)C(C=C(C=CCC(C=C(C=CC1OC(=O)C=CC1C)C)C)C)C)C)O)C)C
Properties
Complexity:
933
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
512.35g/mol
Formal Charge:
0
Heavy Atom Count:
37
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
512.731g/mol
Monoisotopic Mass:
512.35g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
83.8A^2
Undefined Atom Stereocenter Count:
7
Undefined Bond Stereocenter Count:
5
XLogP3:
7.2
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