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112923-40-7 | goniodomin A
CAS No: 112923-40-7 Catalog No: AG009OYA MDL No:
Product Description
Catalog Number:
AG009OYA
Chemical Name:
goniodomin A
CAS Number:
112923-40-7
IUPAC Name:
(19Z)-16,17,27-trihydroxy-21-(2-hydroxy-3,4-dimethyloxan-2-yl)-31-methyl-2,15,25,30-tetramethylidene-22,33,34,35,36,37-hexaoxahexacyclo[27.3.1.11,5.16,10.111,14.124,28]heptatriaconta-8,19-dien-23-one
InChI:
InChI=1S/C43H60O12/c1-22-18-19-49-43(48,28(22)7)36-13-8-10-29(44)37(46)27(6)31-16-17-34(50-31)32-11-9-12-33(51-32)35-15-14-25(4)42(54-35)21-24(3)26(5)39(55-42)40-30(45)20-23(2)38(53-40)41(47)52-36/h8-9,11,13,22,24,28-40,44-46,48H,2,4-6,10,12,14-21H2,1,3,7H3/b13-8-
InChI Key:
UBLDAHNUOSMNHW-JYRVWZFOSA-N
Properties
Complexity:
1570
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
768.408g/mol
Formal Charge:
0
Heavy Atom Count:
55
Hydrogen Bond Acceptor Count:
12
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
768.941g/mol
Monoisotopic Mass:
768.408g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
163A^2
Undefined Atom Stereocenter Count:
17
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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