(4E,18E)-3',4',5',6'-Tetrahydro-7,9,11-trihydroxy-6'-(2-hydroxybutyl)-5',6,8,12,27-pentamethyl-20-(2-methylpropyl)spiro[2,24-dioxabicyclo[21.3.1]heptacosa-4,18-diene-25,2'-[2H]pyran]-3,21-dione
-
![(4E,18E)-3',4',5',6'-Tetrahydro-7,9,11-trihydroxy-6'-(2-hydroxybutyl)-5',6,8,12,27-pentamethyl-20-(2-methylpropyl)spiro[2,24-dioxabicyclo[21.3.1]heptacosa-4,18-diene-25,2'-[2H]pyran]-3,21-dione structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/a7431208c2174e588da0d1bba0ef1e70.png "(4E,18E)-3',4',5',6'-Tetrahydro-7,9,11-trihydroxy-6'-(2-hydroxybutyl)-5',6,8,12,27-pentamethyl-20-(2-methylpropyl)spiro[2,24-dioxabicyclo[21.3.1]heptacosa-4,18-diene-25,2'-[2H]pyran]-3,21-dione")
(4E,18E)-3',4',5',6'-Tetrahydro-7,9,11-trihydroxy-6'-(2-hydroxybutyl)-5',6,8,12,27-pentamethyl-20-(2-methylpropyl)spiro[2,24-dioxabicyclo[21.3.1]heptacosa-4,18-diene-25,2'-[2H]pyran]-3,21-dione
structure -
-
CAS No:
140221-72-3
-
Formula:
C42H72O9
-
Chemical Name:
(4E,18E)-3',4',5',6'-Tetrahydro-7,9,11-trihydroxy-6'-(2-hydroxybutyl)-5',6,8,12,27-pentamethyl-20-(2-methylpropyl)spiro[2,24-dioxabicyclo[21.3.1]heptacosa-4,18-diene-25,2'-[2H]pyran]-3,21-dione
-
Synonyms:
(4E,18E)-3',4',5',6'-Tetrahydro-7,9,11-trihydroxy-6'-(2-hydroxybutyl)-5',6,8,12,27-pentamethyl-20-(2-methylpropyl)spiro[2,24-dioxabicyclo[21.3.1]heptacosa-4,18-diene-25,2'-[2H]pyran]-3,21-dione;Dunaimycin A1
-
CAS No:
(4E,18E)-3',4',5',6'-Tetrahydro-7,9,11-trihydroxy-6'-(2-hydroxybutyl)-5',6,8,12,27-pentamethyl-20-(2-methylpropyl)spiro[2,24-dioxabicyclo[21.3.1]heptacosa-4,18-diene-25,2'-[2H]pyran]-3,21-dione Basic Attributes
721.01568
720.51763387
Computed Properties
Molecular Weight:721.0
XLogP3:8.3
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:5
Exact Mass:720.51763387
Monoisotopic Mass:720.51763387
Topological Polar Surface Area:143
Heavy Atom Count:51
Complexity:1120
Undefined Atom Stereocenter Count:14
Defined Bond Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Request for Quotation