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10257-13-3 | Azuleno[6,5-b]furan-2,5-dione, 3,3a,4,4a,7a,8,9,9a-octahydro-4-hydroxy-3,4a,8-trimethyl-, (3R,3aS,4R,4aR,7aS,8R,9aS)-
CAS No: 10257-13-3 Catalog No: AG0007RB MDL No:
Product Description
Catalog Number:
AG0007RB
Chemical Name:
Azuleno[6,5-b]furan-2,5-dione, 3,3a,4,4a,7a,8,9,9a-octahydro-4-hydroxy-3,4a,8-trimethyl-, (3R,3aS,4R,4aR,7aS,8R,9aS)-
CAS Number:
10257-13-3
Molecular Formula:
C15H20O4
Molecular Weight:
264.3169
IUPAC Name:
(1R,3aS,5R,5aS,8aR,9R,9aS)-9-hydroxy-1,5,8a-trimethyl-3a,4,5,5a,9,9a-hexahydro-1H-azuleno[6,7-b]furan-2,8-dione
InChI:
InChI=1S/C15H20O4/c1-7-6-10-12(8(2)14(18)19-10)13(17)15(3)9(7)4-5-11(15)16/h4-5,7-10,12-13,17H,6H2,1-3H3/t7-,8-,9-,10+,12-,13-,15+/m1/s1
InChI Key:
ICKWITMQEROMDG-QNYKULNCSA-N
SMILES:
C[C@H]1C(=O)O[C@@H]2[C@@H]1[C@@H](O)[C@]1(C)C(=O)C=C[C@@H]1[C@@H](C2)C
Properties
Complexity:
469
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
7
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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