 Home > Encyclopedia > (1R,4R,5R,5aS,12aS,12bR)-4,5,5a,8,10,11,12,12a-Octahydro-5a-hydroxy-4-methyl-1,5:4,12b-dimethano-1H,3H,12bH-oxocino[3,4,5-ij]quinolizin-3-one

(1R,4R,5R,5aS,12aS,12bR)-4,5,5a,8,10,11,12,12a-Octahydro-5a-hydroxy-4-methyl-1,5:4,12b-dimethano-1H,3H,12bH-oxocino[3,4,5-ij]quinolizin-3-one

(1R,4R,5R,5aS,12aS,12bR)-4,5,5a,8,10,11,12,12a-Octahydro-5a-hydroxy-4-methyl-1,5:4,12b-dimethano-1H,3H,12bH-oxocino[3,4,5-ij]quinolizin-3-one structure

CAS No:
5096-59-3
Formula:
C16H21NO3
Chemical Name:
(1R,4R,5R,5aS,12aS,12bR)-4,5,5a,8,10,11,12,12a-Octahydro-5a-hydroxy-4-methyl-1,5:4,12b-dimethano-1H,3H,12bH-oxocino[3,4,5-ij]quinolizin-3-one
Synonyms:
1,5:4,12b-Dimethano-1H,3H,12bH-oxocino[3,4,5-ij]quinolizin-3-one,4,5,5a,8,10,11,12,12a-octahydro-5a-hydroxy-4-methyl-,(1R,4R,5R,5aS,12aS,12bR)-;Annotine;(1R,4R,5R,5aS,12aS,12bR)-4,5,5a,8,10,11,12,12a-Octahydro-5a-hydroxy-4-methyl-1,5:4,12b-dimethano-1H,3H,12bH-oxocino[3,4,5-ij]quinolizin-3-one;1,5:4,12b-Dimethano-1H,3H,12bH-oxocino[3,4,5-ij]quinolizin-3-one,4,5,5a,8,10,11,12,12a-octahydro-5a-hydroxy-4-methyl-,[1R-(1α,4β,5α,5aβ,12aα,12bβ)]-;[1R-(1α,4β,5α,5aβ,12aα,12bβ)]-4,5,5a,8,10,11,12,12a-Octahydro-5a-hydroxy-4-methyl-1,5:4,12b-dimethano-1H,3H,12bH-oxocino[3,4,5-ij]quinolizin-3-one;6874-73-3

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Description

Annotine is an azaspiro compound.

(1R,4R,5R,5aS,12aS,12bR)-4,5,5a,8,10,11,12,12a-Octahydro-5a-hydroxy-4-methyl-1,5:4,12b-dimethano-1H,3H,12bH-oxocino[3,4,5-ij]quinolizin-3-one Basic Attributes

Molecular Weight：

275.34284

Exact Mass：

275.34

DSSTox ID：

DTXSID30331834

Characteristics

PSA：

49.8

XLogP3：

0.9

Melting Point：

175-176 °C

Computed Properties

Molecular Weight:275.34
XLogP3:0.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Exact Mass:275.15214353
Monoisotopic Mass:275.15214353
Topological Polar Surface Area:49.8
Heavy Atom Count:20
Complexity:546
Defined Atom Stereocenter Count:5
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of (1R,4R,5R,5aS,12aS,12bR)-4,5,5a,8,10,11,12,12a-Octahydro-5a-hydroxy-4-methyl-1,5:4,12b-dimethano-1H,3H,12bH-oxocino[3,4,5-ij]quinolizin-3-one

Description
Basic Attributes
Characteristics
Computed Properties

(1R,4R,5R,5aS,12aS,12bR)-4,5,5a,8,10,11,12,12a-Octahydro-5a-hydroxy-4-methyl-1,5:4,12b-dimethano-1H,3H,12bH-oxocino[3,4,5-ij]quinolizin-3-one

SDS

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