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77984-53-3 | (1S,4S,5aS,6R,9aR,10S)-1-[(S)-2-Acetoxy-2-(3-furyl)ethyl]-5a-(acetoxymethyl)-1,2,7,8,9,9a-hexahydro-2-hydroxy-10-methylspiro[1,4-methano-3-benzoxepine-6(4H),2'-oxiran]-5(5aH)-one
CAS No: 77984-53-3 Catalog No: AG00GGW5 MDL No:
Product Description
Catalog Number:
AG00GGW5
Chemical Name:
(1S,4S,5aS,6R,9aR,10S)-1-[(S)-2-Acetoxy-2-(3-furyl)ethyl]-5a-(acetoxymethyl)-1,2,7,8,9,9a-hexahydro-2-hydroxy-10-methylspiro[1,4-methano-3-benzoxepine-6(4H),2'-oxiran]-5(5aH)-one
CAS Number:
77984-53-3
IUPAC Name:
[(1S,2R,6R,7S,9S,12S)-1-[(2S)-2-acetyloxy-2-(furan-3-yl)ethyl]-11-hydroxy-12-methyl-8-oxospiro[10-oxatricyclo[7.2.1.02,7]dodecane-6,2'-oxirane]-7-yl]methyl acetate
InChI:
InChI=1S/C24H30O9/c1-13-19-20(27)24(12-30-14(2)25)18(5-4-7-22(24)11-31-22)23(13,21(28)33-19)9-17(32-15(3)26)16-6-8-29-10-16/h6,8,10,13,17-19,21,28H,4-5,7,9,11-12H2,1-3H3/t13-,17+,18-,19+,21?,22+,23-,24+/m1/s1
InChI Key:
KIOYVCPFPAIZEA-CHIIDUAPSA-N
Properties
Complexity:
844
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
7
Defined Bond Stereocenter Count:
0
Exact Mass:
462.189g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
462.495g/mol
Monoisotopic Mass:
462.189g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
125A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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