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1402-83-1 | 2-[(2E)-8-[5-(4,5-dihydroxy-4,6-dimethyl-oxan-2-yl)oxy-4-dimethylamino -6-methyl-oxan-2-yl]oxy-14-ethyl-10-hydroxy-15-[(5-hydroxy-3,4-dimetho xy-6-methyl-oxan-2-yl)oxymethyl]-1,5,9-trimethyl-4,12-dioxo-13,17-diox abicyclo[14.1.0]heptadec-2-en-7-yl]acetaldehyde
CAS No: 1402-83-1 Catalog No: AG00AF5Z MDL No:
Product Description
Catalog Number:
AG00AF5Z
Chemical Name:
2-[(2E)-8-[5-(4,5-dihydroxy-4,6-dimethyl-oxan-2-yl)oxy-4-dimethylamino -6-methyl-oxan-2-yl]oxy-14-ethyl-10-hydroxy-15-[(5-hydroxy-3,4-dimetho xy-6-methyl-oxan-2-yl)oxymethyl]-1,5,9-trimethyl-4,12-dioxo-13,17-diox abicyclo[14.1.0]heptadec-2-en-7-yl]acetaldehyde
CAS Number:
1402-83-1
IUPAC Name:
2-[(14E)-9-[5-(4,5-dihydroxy-4,6-dimethyloxan-2-yl)oxy-4-(dimethylamino)-6-methyloxan-2-yl]oxy-3-ethyl-7-hydroxy-2-[(5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl)oxymethyl]-8,12,16-trimethyl-5,13-dioxo-4,17-dioxabicyclo[14.1.0]heptadec-14-en-10-yl]acetaldehyde
InChI:
InChI=1S/C46H77NO17/c1-13-33-29(22-57-44-41(56-12)40(55-11)37(52)25(4)60-44)43-46(8,64-43)16-14-31(49)23(2)18-28(15-17-48)38(24(3)32(50)20-34(51)61-33)62-35-19-30(47(9)10)39(26(5)58-35)63-36-21-45(7,54)42(53)27(6)59-36/h14,16-17,23-30,32-33,35-44,50,52-54H,13,15,18-22H2,1-12H3/b16-14+
InChI Key:
KZXDKUWSAVUSKI-JQIJEIRASA-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:
915.519g/mol
Formal Charge:
0
Heavy Atom Count:
64
Hydrogen Bond Acceptor Count:
18
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
916.112g/mol
Monoisotopic Mass:
915.519g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
231A^2
Undefined Atom Stereocenter Count:
22
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
Literature
| Title | Journal |
|---|---|
| Screening for new compounds with antiherpes activity. | Antiviral research 19841001 |
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