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89647-87-0 | (3ar,4r,6ar,8s,9ar,9br)-4,8-dihydroxy-3,6,9-trimethylidenedecahydroazuleno[4,5-b]furan-2(3h)-one
CAS No: 89647-87-0 Catalog No: AG003VJQ MDL No:
Product Description
Catalog Number:
AG003VJQ
Chemical Name:
(3ar,4r,6ar,8s,9ar,9br)-4,8-dihydroxy-3,6,9-trimethylidenedecahydroazuleno[4,5-b]furan-2(3h)-one
CAS Number:
89647-87-0
Molecular Formula:
C15H18O4
Molecular Weight:
262.3010
IUPAC Name:
(3aR,4R,6aR,8S,9aR,9bR)-4,8-dihydroxy-3,6,9-trimethylidene-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-2-one
InChI:
InChI=1S/C15H18O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h9-14,16-17H,1-5H2/t9-,10-,11+,12-,13+,14+/m0/s1
InChI Key:
VPRPYNVJJXOFKZ-BSCCGWMCSA-N
SMILES:
O[C@H]1C[C@@H]2[C@H](C1=C)[C@H]1OC(=O)C(=C)[C@@H]1[C@@H](CC2=C)O
Properties
Complexity:
492
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
6
Defined Bond Stereocenter Count:
0
Exact Mass:
262.121g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
262.305g/mol
Monoisotopic Mass:
262.121g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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