(12S,25S)-5,31-dimethoxy-11,26-dimethyl-2,18-dioxa-11,26-diazaheptacyclo[23.6.2.214,17.119,23.03,8.07,12.029,33]hexatriaconta-1(31),3(8),4,6,14(36),15,17(35),19,21,23(34),29,32-dodecaene-4,20-diol
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![(12S,25S)-5,31-dimethoxy-11,26-dimethyl-2,18-dioxa-11,26-diazaheptacyclo[23.6.2.214,17.119,23.03,8.07,12.029,33]hexatriaconta-1(31),3(8),4,6,14(36),15,17(35),19,21,23(34),29,32-dodecaene-4,20-diol structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/52100ffac96d45dd987ea968985c2928.png "(12S,25S)-5,31-dimethoxy-11,26-dimethyl-2,18-dioxa-11,26-diazaheptacyclo[23.6.2.214,17.119,23.03,8.07,12.029,33]hexatriaconta-1(31),3(8),4,6,14(36),15,17(35),19,21,23(34),29,32-dodecaene-4,20-diol")
(12S,25S)-5,31-dimethoxy-11,26-dimethyl-2,18-dioxa-11,26-diazaheptacyclo[23.6.2.214,17.119,23.03,8.07,12.029,33]hexatriaconta-1(31),3(8),4,6,14(36),15,17(35),19,21,23(34),29,32-dodecaene-4,20-diol
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CAS No:
66834-86-4
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Formula:
C36H38N2O6
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Chemical Name:
(12S,25S)-5,31-dimethoxy-11,26-dimethyl-2,18-dioxa-11,26-diazaheptacyclo[23.6.2.214,17.119,23.03,8.07,12.029,33]hexatriaconta-1(31),3(8),4,6,14(36),15,17(35),19,21,23(34),29,32-dodecaene-4,20-diol
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Synonyms:
Thalbadensine;Thalbadenzine;66834-86-4;DTXSID10216958
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CAS No:
(12S,25S)-5,31-dimethoxy-11,26-dimethyl-2,18-dioxa-11,26-diazaheptacyclo[23.6.2.214,17.119,23.03,8.07,12.029,33]hexatriaconta-1(31),3(8),4,6,14(36),15,17(35),19,21,23(34),29,32-dodecaene-4,20-diol Basic Attributes
594.7 g/mol
594.27298694 g/mol
DTXSID10216958
Computed Properties
Molecular Weight:594.7
XLogP3:6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:2
Exact Mass:594.27298694
Monoisotopic Mass:594.27298694
Topological Polar Surface Area:83.9
Heavy Atom Count:44
Complexity:948
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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