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Home > Encyclopedia > (6R,6aR,8aS,9R,11S,12aR,12bS,12cS)-Decahydro-6-methyl-10-methylene-9H,12cH-8a,11-ethano-6,12b-propano-5H-benz[h]oxazolo[2,3-a]isoquinolin-9-ol

(6R,6aR,8aS,9R,11S,12aR,12bS,12cS)-Decahydro-6-methyl-10-methylene-9H,12cH-8a,11-ethano-6,12b-propano-5H-benz[h]oxazolo[2,3-a]isoquinolin-9-ol

(6R,6aR,8aS,9R,11S,12aR,12bS,12cS)-Decahydro-6-methyl-10-methylene-9H,12cH-8a,11-ethano-6,12b-propano-5H-benz[h]oxazolo[2,3-a]isoquinolin-9-ol structure

(6R,6aR,8aS,9R,11S,12aR,12bS,12cS)-Decahydro-6-methyl-10-methylene-9H,12cH-8a,11-ethano-6,12b-propano-5H-benz[h]oxazolo[2,3-a]isoquinolin-9-ol 

structure
  • CAS No:

    466-43-3

  • Formula:

    C22H33NO2

  • Chemical Name:

    (6R,6aR,8aS,9R,11S,12aR,12bS,12cS)-Decahydro-6-methyl-10-methylene-9H,12cH-8a,11-ethano-6,12b-propano-5H-benz[h]oxazolo[2,3-a]isoquinolin-9-ol

  • Synonyms:

    9H,12cH-8a,11-Ethano-6,12b-propano-5H-benz[h]oxazolo[2,3-a]isoquinolin-9-ol,decahydro-6-methyl-10-methylene-,(6R,6aR,8aS,9R,11S,12aR,12bS,12cS)-;Atisine;(6R,6aR,8aS,9R,11S,12aR,12bS,12cS)-Decahydro-6-methyl-10-methylene-9H,12cH-8a,11-ethano-6,12b-propano-5H-benz[h]oxazolo[2,3-a]isoquinolin-9-ol;Anthorine;[6R-(6α,6aα,8aβ,9α,11β,12aα,12bα,12cβ)]-Decahydro-6-methyl-10-methylene-9H,12cH-8a,11-ethano-6,12b-propano-5H-benz[h]oxazolo[2,3-a]isoquinolin-9-ol;28638-93-9;875253-04-6;101057-34-5

Description

ChEBI: A organic heterohexacyclic compound and diterpene alkaloid isolated from Aconitum anthora. In solution, it is a 2:1 mixture of readily interconvertible epimers at position 20 (the carbon attached to both the nitrogen and an oxygen atom).


Atisine is a organic heterohexacyclic compound and diterpene alkaloid isolated from Aconitum anthora. In solution, it is a 2:1 mixture of readily interconvertible epimers at position 20 (the carbon attached to both the nitrogen and an oxygen atom). It has a role as a plant metabolite. It is a diterpene alkaloid, a terpene alkaloid fundamental parent, an organic heterohexacyclic compound and a secondary alcohol.

(6R,6aR,8aS,9R,11S,12aR,12bS,12cS)-Decahydro-6-methyl-10-methylene-9H,12cH-8a,11-ethano-6,12b-propano-5H-benz[h]oxazolo[2,3-a]isoquinolin-9-ol Basic Attributes

343.5 g/mol

343.50

Characteristics

32.7 Ų

1.0455 (rough estimate)

314 °C (decomp)

Computed Properties

Molecular Weight:343.5
XLogP3:3.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Exact Mass:343.251129295
Monoisotopic Mass:343.251129295
Topological Polar Surface Area:32.7
Heavy Atom Count:25
Complexity:634
Defined Atom Stereocenter Count:7
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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