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148504-47-6 | quinolidomicin A1
CAS No: 148504-47-6 Catalog No: AG00B85A MDL No:
Product Description
Catalog Number:
AG00B85A
Chemical Name:
quinolidomicin A1
CAS Number:
148504-47-6
IUPAC Name:
(21Z,23Z,25E,33Z,35E,50E,52Z)-1,7,9,17,19,27,31,37,39,41,45,47,49,55,59-pentadecahydroxy-5-[(1E,3E)-8-(5-hydroxy-2-methylsulfanyl-3,6-dioxocyclohexa-1,4-dien-1-yl)-8-methoxy-5-methylocta-1,3-dienyl]-14,44,48,50,54,56,58-heptamethyl-4,61-dioxabicyclo[55.3.1]henhexaconta-21,23,25,33,35,50,52-heptaene-3,29-dione
InChI:
InChI=1S/C83H132O23S/c1-51-24-19-21-32-63(88)44-68(93)46-69(33-22-20-25-52(2)35-39-75(104-9)77-80(102)72(96)48-73(97)82(77)107-10)105-76(99)50-83(103)49-74(98)57(7)81(106-83)58(8)79(101)55(5)27-23-26-54(4)78(100)56(6)71(95)47-70(94)53(3)36-38-65(90)45-67(92)43-62(87)31-18-14-17-30-61(86)42-66(91)41-60(85)29-16-13-11-12-15-28-59(84)40-64(89)37-34-51/h11-18,20,22-23,25-27,29,31,33,48,51-53,55-65,67-71,74-75,78-79,81,84-90,92-96,98,100-101,103H,19,21,24,28,30,32,34-47,49-50H2,1-10H3/b13-11-,15-12-,17-14-,25-20+,27-23-,29-16+,31-18+,33-22+,54-26+
InChI Key:
ICRSVVBHIOAZHM-FOGXVAHRSA-N
Properties
Complexity:
2990
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
9
Exact Mass:
1528.888g/mol
Formal Charge:
0
Heavy Atom Count:
107
Hydrogen Bond Acceptor Count:
24
Hydrogen Bond Donor Count:
16
Isotope Atom Count:
0
Molecular Weight:
1530.006g/mol
Monoisotopic Mass:
1528.888g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
445A^2
Undefined Atom Stereocenter Count:
25
Undefined Bond Stereocenter Count:
0
XLogP3:
8.2
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