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113568-94-8 | Cyclopenta[c]furo[3',2':4,5]furo[2,3-h][1]benzopyran-11(1H)-one, 2,3,6a,8,9,9a-hexahydro-8-hydroxy-1-[[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]imino]-4-methoxy-, [6aS-(6aα,8β,9aα)]- (9CI)
CAS No: 113568-94-8 Catalog No: AG00090B MDL No:
Product Description
Catalog Number:
AG00090B
Chemical Name:
Cyclopenta[c]furo[3',2':4,5]furo[2,3-h][1]benzopyran-11(1H)-one, 2,3,6a,8,9,9a-hexahydro-8-hydroxy-1-[[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]imino]-4-methoxy-, [6aS-(6aα,8β,9aα)]- (9CI)
CAS Number:
113568-94-8
IUPAC Name:
(3S,5R,7S)-16-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]imino-5-hydroxy-11-methoxy-6,8,19-trioxapentacyclo[10.7.0.02,9.03,7.013,17]nonadeca-1,9,11,13(17)-tetraen-18-one
InChI:
InChI=1S/C21H23NO9/c1-28-12-5-13-17(10-4-14(26)30-20(10)29-13)18-16(12)9-2-3-11(15(9)19(27)31-18)22-21(6-23,7-24)8-25/h5,10,14,20,23-26H,2-4,6-8H2,1H3/t10-,14+,20-/m0/s1
InChI Key:
BTUXOMDCOCLGPM-NOPHNCEQSA-N
Properties
Complexity:
798
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
433.137g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
433.413g/mol
Monoisotopic Mass:
433.137g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
147A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.3
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