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51820-11-2 | 2H-Indeno[1,2-b]furan-2-one,3-[[(2,5-dihydro-4-methyl-5-oxo-2-furanyl)oxy]methylene]-3,3a,4,5,6,7,8,8b-octahydro-5-hydroxy-8,8-dimethyl-, [3E(R*),3aa,5b,8ba]-
CAS No: 51820-11-2 Catalog No: AG00I99S MDL No:
Product Description
Catalog Number:
AG00I99S
Chemical Name:
2H-Indeno[1,2-b]furan-2-one,3-[[(2,5-dihydro-4-methyl-5-oxo-2-furanyl)oxy]methylene]-3,3a,4,5,6,7,8,8b-octahydro-5-hydroxy-8,8-dimethyl-, [3E(R*),3aa,5b,8ba]-
CAS Number:
51820-11-2
Molecular Formula:
C19H22O6
Molecular Weight:
346.3744
IUPAC Name:
(3aR,5S,8bS)-5-hydroxy-8,8-dimethyl-3-[[(2R)-4-methyl-5-oxo-2H-furan-2-yl]oxymethylidene]-3a,4,5,6,7,8b-hexahydroindeno[1,2-b]furan-2-one
InChI:
InChI=1S/C19H22O6/c1-9-6-14(24-17(9)21)23-8-12-10-7-11-13(20)4-5-19(2,3)15(11)16(10)25-18(12)22/h6,8,10,13-14,16,20H,4-5,7H2,1-3H3/t10-,13+,14-,16+/m1/s1
InChI Key:
VOFXXOPWCBSPAA-FTOGJNOLSA-N
SMILES:
O=C1O[C@H]2[C@@H](/C/1=C\O[C@@H]1OC(=O)C(=C1)C)CC1=C2C(C)(C)CC[C@@H]1O
Properties
Complexity:
741
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
346.142g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
346.379g/mol
Monoisotopic Mass:
346.142g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
82.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.3
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