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Home > Other Heterocycles > 76461-22-8
76461-22-8 | (E)-2-Methyl-2-butenoic acid [(3aS,6R)-2,3,3a,4,5,6,6aβ,7,9aβ,9bα-decahydro-5β,7α-dihydroxy-9-methyl-3-methylene-2-oxospiro[azuleno[4,5-b]furan-6,2'-oxiran]-4α-yl] ester
CAS No: 76461-22-8 Catalog No: AG00GOTG MDL No:
Product Description
Catalog Number:
AG00GOTG
Chemical Name:
(E)-2-Methyl-2-butenoic acid [(3aS,6R)-2,3,3a,4,5,6,6aβ,7,9aβ,9bα-decahydro-5β,7α-dihydroxy-9-methyl-3-methylene-2-oxospiro[azuleno[4,5-b]furan-6,2'-oxiran]-4α-yl] ester
CAS Number:
76461-22-8
IUPAC Name:
[(3aS,4S,5R,6R,6aS,7R,9aR,9bR)-5,7-dihydroxy-9-methyl-3-methylidene-2-oxospiro[4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-6,2'-oxirane]-4-yl] (E)-2-methylbut-2-enoate
InChI:
InChI=1S/C20H24O7/c1-5-8(2)18(23)27-16-13-10(4)19(24)26-15(13)12-9(3)6-11(21)14(12)20(7-25-20)17(16)22/h5-6,11-17,21-22H,4,7H2,1-3H3/b8-5+/t11-,12+,13+,14-,15-,16+,17-,20+/m1/s1
InChI Key:
ZDNNJCOUNKNSGH-NVXPTTAPSA-N
Properties
Complexity:
781
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
8
Defined Bond Stereocenter Count:
1
Exact Mass:
376.152g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
376.405g/mol
Monoisotopic Mass:
376.152g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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