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13250-08-3 | Azuleno[4,5-b]furan-2,9-dione, decahydro-8-hydroxy-6,9a-dimethyl-3-methylene-, (3aS,6S,6aS,8R,9aR,9bR)-
CAS No: 13250-08-3 Catalog No: AG0010RN MDL No:
Product Description
Catalog Number:
AG0010RN
Chemical Name:
Azuleno[4,5-b]furan-2,9-dione, decahydro-8-hydroxy-6,9a-dimethyl-3-methylene-, (3aS,6S,6aS,8R,9aR,9bR)-
CAS Number:
13250-08-3
Molecular Formula:
C15H20O4
Molecular Weight:
264.3169
IUPAC Name:
8-hydroxy-6,9a-dimethyl-3-methylidene-3a,4,5,6,6a,7,8,9b-octahydroazuleno[8,7-b]furan-2,9-dione
InChI:
InChI=1S/C15H20O4/c1-7-4-5-9-8(2)14(18)19-13(9)15(3)10(7)6-11(16)12(15)17/h7,9-11,13,16H,2,4-6H2,1,3H3
InChI Key:
XCOWSXJLBZJEMH-UHFFFAOYSA-N
SMILES:
C[C@H]1CC[C@@H]2[C@H]([C@]3([C@H]1C[C@H](C3=O)O)C)OC(=O)C2=C
NSC Number:
137550
Properties
Complexity:
469
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.136g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
264.321g/mol
Monoisotopic Mass:
264.136g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
6
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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