 Home > Encyclopedia > (12S,25S)-4,5,31-trimethoxy-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-dodecaen-20-ol

(12S,25S)-4,5,31-trimethoxy-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-dodecaen-20-ol

(12S,25S)-4,5,31-trimethoxy-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-dodecaen-20-ol structure

CAS No:
58092-24-3
Formula:
C37H40N2O6
Chemical Name:
(12S,25S)-4,5,31-trimethoxy-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-dodecaen-20-ol
Synonyms:
Thalictine;58092-24-3;(-)-Thalictine;O6'-Methylthaibadenzine;Thalman-12-ol, 6,6',7'-trimethoxy-2,2'-dimethyl-;DTXSID70206815;1H-8,9,13-(1,3)Butadien(1)yl(4)ylidene-4,6:15,18-dietheno-20,24-metheno-10H-pyrido(2,3-t)(1,13,6)dioxaazacyclotricosin-21-ol, 2,3,11,12,13,14,25,25a-octahydro-31,32,33-trimethoxy-1,12-dimethyl-, (13S,25aS)-

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(12S,25S)-4,5,31-trimethoxy-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-dodecaen-20-ol Basic Attributes

Molecular Weight：

608.7 g/mol

Exact Mass：

608.28863700 g/mol

DSSTox ID：

DTXSID70206815

Characteristics

PSA：

72.9 Å²

Computed Properties

Molecular Weight:608.7
XLogP3:6.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:3
Exact Mass:608.28863700
Monoisotopic Mass:608.28863700
Topological Polar Surface Area:72.9
Heavy Atom Count:45
Complexity:963
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of (12S,25S)-4,5,31-trimethoxy-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-dodecaen-20-ol

Basic Attributes
Characteristics
Computed Properties

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