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125225-47-0 | 4H-Furo[3,2-c]pyran-4-one, hexahydro-2-hydroxy-2,3,7-trimethyl-6-[(1R)-1-methyl-2-(phenylmethoxy)ethyl]-, (2R,3S,3aS,6R,7S,7aS)-rel-
CAS No: 125225-47-0 Catalog No: AG000NDF MDL No:
Product Description
Catalog Number:
AG000NDF
Chemical Name:
4H-Furo[3,2-c]pyran-4-one, hexahydro-2-hydroxy-2,3,7-trimethyl-6-[(1R)-1-methyl-2-(phenylmethoxy)ethyl]-, (2R,3S,3aS,6R,7S,7aS)-rel-
CAS Number:
125225-47-0
Molecular Formula:
C20H28O5
Molecular Weight:
348.4333
IUPAC Name:
2-hydroxy-2,3,7-trimethyl-6-(1-phenylmethoxypropan-2-yl)-3a,6,7,7a-tetrahydro-3H-furo[3,2-c]pyran-4-one
InChI:
InChI=1S/C20H28O5/c1-12(10-23-11-15-8-6-5-7-9-15)17-13(2)18-16(19(21)24-17)14(3)20(4,22)25-18/h5-9,12-14,16-18,22H,10-11H2,1-4H3
InChI Key:
RQQGOIZOEWMGCF-UHFFFAOYSA-N
SMILES:
C[C@@H]([C@H]1OC(=O)[C@@H]2[C@H]([C@@H]1C)O[C@@]([C@H]2C)(C)O)COCc1ccccc1
Properties
Complexity:
475
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
348.194g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
348.439g/mol
Monoisotopic Mass:
348.194g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
65A^2
Undefined Atom Stereocenter Count:
7
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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