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Home > Encyclopedia > (5S,5aS,12bS,12cS)-2,3,5,5a,12b,12c-Hexahydro-5-hydroxy-8-methoxy-1-methyl[1,3]dioxolo[6,7][2]benzopyrano[3,4-g]indol-7(1H)-one

(5S,5aS,12bS,12cS)-2,3,5,5a,12b,12c-Hexahydro-5-hydroxy-8-methoxy-1-methyl[1,3]dioxolo[6,7][2]benzopyrano[3,4-g]indol-7(1H)-one

(5S,5aS,12bS,12cS)-2,3,5,5a,12b,12c-Hexahydro-5-hydroxy-8-methoxy-1-methyl[1,3]dioxolo[6,7][2]benzopyrano[3,4-g]indol-7(1H)-one structure

(5S,5aS,12bS,12cS)-2,3,5,5a,12b,12c-Hexahydro-5-hydroxy-8-methoxy-1-methyl[1,3]dioxolo[6,7][2]benzopyrano[3,4-g]indol-7(1H)-one 

structure
  • CAS No:

    24585-19-1

  • Formula:

    C18H19NO6

  • Chemical Name:

    (5S,5aS,12bS,12cS)-2,3,5,5a,12b,12c-Hexahydro-5-hydroxy-8-methoxy-1-methyl[1,3]dioxolo[6,7][2]benzopyrano[3,4-g]indol-7(1H)-one

  • Synonyms:

    [1,3]Dioxolo[6,7][2]benzopyrano[3,4-g]indol-7(1H)-one,2,3,5,5a,12b,12c-hexahydro-5-hydroxy-8-methoxy-1-methyl-,(5S,5aS,12bS,12cS)-;Candimine;Lycorenan-7-one,5-hydroxy-8-methoxy-1-methyl-9,10-[methylenebis(oxy)]-,(5α)-;(5S,5aS,12bS,12cS)-2,3,5,5a,12b,12c-Hexahydro-5-hydroxy-8-methoxy-1-methyl[1,3]dioxolo[6,7][2]benzopyrano[3,4-g]indol-7(1H)-one;[1,3]Dioxolo[6,7][2]benzopyrano[3,4-g]indol-7(1H)-one,2,3,5,5a,12b,12c-hexahydro-5-hydroxy-8-methoxy-1-methyl-,[5S-(5α,5aα,12bα,12cβ)]-;30628-34-3

Description

Candimine is an alkaloid. It has a role as a metabolite.

(5S,5aS,12bS,12cS)-2,3,5,5a,12b,12c-Hexahydro-5-hydroxy-8-methoxy-1-methyl[1,3]dioxolo[6,7][2]benzopyrano[3,4-g]indol-7(1H)-one Basic Attributes

345.3 g/mol

345.35

DTXSID90331597

Characteristics

77.5 Ų

218-220 °C @ Solvent: Methanol

Drug Information

candimine

Computed Properties

Molecular Weight:345.3
XLogP3:0.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:1
Exact Mass:345.12123733
Monoisotopic Mass:345.12123733
Topological Polar Surface Area:77.5
Heavy Atom Count:25
Complexity:608
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Guide of (5S,5aS,12bS,12cS)-2,3,5,5a,12b,12c-Hexahydro-5-hydroxy-8-methoxy-1-methyl[1,3]dioxolo[6,7][2]benzopyrano[3,4-g]indol-7(1H)-one

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