 Home > Encyclopedia > (14S)-20,21,25-trimethoxy-15-methyl-8,23-dioxa-15,30-diazaheptacyclo[22.6.2.29,12.13,7.114,18.027,31.022,33]hexatriaconta-1(30),3(36),4,6,9(35),10,12(34),18,20,22(33),24,26,31-tridecaen-6-ol

(14S)-20,21,25-trimethoxy-15-methyl-8,23-dioxa-15,30-diazaheptacyclo[22.6.2.29,12.13,7.114,18.027,31.022,33]hexatriaconta-1(30),3(36),4,6,9(35),10,12(34),18,20,22(33),24,26,31-tridecaen-6-ol

(14S)-20,21,25-trimethoxy-15-methyl-8,23-dioxa-15,30-diazaheptacyclo[22.6.2.29,12.13,7.114,18.027,31.022,33]hexatriaconta-1(30),3(36),4,6,9(35),10,12(34),18,20,22(33),24,26,31-tridecaen-6-ol structure

CAS No:
119903-41-2
Formula:
C36H36N2O6
Chemical Name:
(14S)-20,21,25-trimethoxy-15-methyl-8,23-dioxa-15,30-diazaheptacyclo[22.6.2.29,12.13,7.114,18.027,31.022,33]hexatriaconta-1(30),3(36),4,6,9(35),10,12(34),18,20,22(33),24,26,31-tridecaen-6-ol
Synonyms:
119903-41-2;O12-Demethylcoclobine;12-O-Demethylcoclobine;6,6',7-trimethoxy-2-methyl-1',2'-didehydrooxyacanthan-12'-ol;DTXSID60923140;2H-1,24:12,15-Dietheno-6,10-metheno-16H-pyrido(2',3':17,18)(1,10)dioxacycloeicosino(2,3,4-ij)isoquinolin-9-ol, 3,5,16a,17,18,19-hexahydro-21,22,26-trimethoxy-17-methyl-, (S)-

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(14S)-20,21,25-trimethoxy-15-methyl-8,23-dioxa-15,30-diazaheptacyclo[22.6.2.29,12.13,7.114,18.027,31.022,33]hexatriaconta-1(30),3(36),4,6,9(35),10,12(34),18,20,22(33),24,26,31-tridecaen-6-ol Basic Attributes

Molecular Weight：

592.7 g/mol

Exact Mass：

592.25733687 g/mol

Characteristics

PSA：

82 Å²

Computed Properties

Molecular Weight:592.7
XLogP3:5.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:3
Exact Mass:592.25733687
Monoisotopic Mass:592.25733687
Topological Polar Surface Area:82
Heavy Atom Count:44
Complexity:988
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of (14S)-20,21,25-trimethoxy-15-methyl-8,23-dioxa-15,30-diazaheptacyclo[22.6.2.29,12.13,7.114,18.027,31.022,33]hexatriaconta-1(30),3(36),4,6,9(35),10,12(34),18,20,22(33),24,26,31-tridecaen-6-ol

Basic Attributes
Characteristics
Computed Properties

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