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83797-56-2 | 7-Deacetyl-7-O-hemisuccinyl-Forskolin
CAS No: 83797-56-2 Catalog No: AG004SJT MDL No:
Product Description
Catalog Number:
AG004SJT
Chemical Name:
7-Deacetyl-7-O-hemisuccinyl-Forskolin
CAS Number:
83797-56-2
Molecular Formula:
C24H36O9
Molecular Weight:
468.5372
IUPAC Name:
4-[(3-ethenyl-6,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-5,6,6a,8,9,10-hexahydro-2H-benzo[f]chromen-5-yl)oxy]-4-oxobutanoic acid
InChI:
InChI=1S/C24H36O9/c1-7-21(4)12-14(26)24(31)22(5)13(25)10-11-20(2,3)18(22)17(30)19(23(24,6)33-21)32-16(29)9-8-15(27)28/h7,13,17-19,25,30-31H,1,8-12H2,2-6H3,(H,27,28)
InChI Key:
GAXOOYZVVOXRCK-UHFFFAOYSA-N
SMILES:
C=CC1(C)CC(=O)C2(C(O1)(C)C(OC(=O)CCC(=O)O)C(C1C2(C)C(O)CCC1(C)C)O)O
Properties
Complexity:
868
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
468.236g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
468.543g/mol
Monoisotopic Mass:
468.236g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
151A^2
Undefined Atom Stereocenter Count:
8
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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