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132362-42-6 | Aconitane-1,8,10,14-tetrol, 20-ethyl-6,16-dimethoxy-4-(methoxymethyl)-, (1α,6α,14α,16β)-
CAS No: 132362-42-6 Catalog No: AG0010L8 MDL No:MFCD28100276
Product Description
Catalog Number:
AG0010L8
Chemical Name:
Aconitane-1,8,10,14-tetrol, 20-ethyl-6,16-dimethoxy-4-(methoxymethyl)-, (1α,6α,14α,16β)-
CAS Number:
132362-42-6
MDL Number:
MFCD28100276
IUPAC Name:
(1R,2S,3R,4S,5S,6S,8S,10R,13S,16S,17R,18R)-11-ethyl-6,18-dimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-2,4,8,16-tetrol
InChI:
InChI=1S/C24H39NO7/c1-5-25-10-21(11-30-2)7-6-14(26)24-19(21)17(32-4)15(20(24)25)22(28)9-13(31-3)12-8-23(24,29)18(22)16(12)27/h12-20,26-29H,5-11H2,1-4H3/t12-,13+,14+,15?,16+,17+,18-,19-,20-,21+,22+,23+,24-/m1/s1
InChI Key:
COLAMBKEZAEWGO-QFPSUAGYSA-N
Properties
Complexity:
798
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
12
Defined Bond Stereocenter Count:
0
Exact Mass:
453.273g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
453.576g/mol
Monoisotopic Mass:
453.273g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.1
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