 Home > Encyclopedia > (αS,3S,3aR,9S,10aR,12aR,12bS)-9-(Dimethylamino)-1,2,3,3a,4,7,8,9,10,10a,11,12,12a,12b-tetradecahydro-α,3a,10,10,12b-pentamethylbenzo[4,5]cyclohept[1,2-e]indene-3-methanamine

(αS,3S,3aR,9S,10aR,12aR,12bS)-9-(Dimethylamino)-1,2,3,3a,4,7,8,9,10,10a,11,12,12a,12b-tetradecahydro-α,3a,10,10,12b-pentamethylbenzo[4,5]cyclohept[1,2-e]indene-3-methanamine

(αS,3S,3aR,9S,10aR,12aR,12bS)-9-(Dimethylamino)-1,2,3,3a,4,7,8,9,10,10a,11,12,12a,12b-tetradecahydro-α,3a,10,10,12b-pentamethylbenzo[4,5]cyclohept[1,2-e]indene-3-methanamine structure

CAS No:
14317-17-0
Formula:
C26H44N2
Chemical Name:
(αS,3S,3aR,9S,10aR,12aR,12bS)-9-(Dimethylamino)-1,2,3,3a,4,7,8,9,10,10a,11,12,12a,12b-tetradecahydro-α,3a,10,10,12b-pentamethylbenzo[4,5]cyclohept[1,2-e]indene-3-methanamine
Synonyms:
Benzo[4,5]cyclohept[1,2-e]indene-3-methanamine,9-(dimethylamino)-1,2,3,3a,4,7,8,9,10,10a,11,12,12a,12b-tetradecahydro-α,3a,10,10,12b-pentamethyl-,(αS,3S,3aR,9S,10aR,12aR,12bS)-;B(9a)-Homo-19-nor-5α-pregna-9(11),9a-diene-3β,20α-diamine,N3,N3,4,4,14-pentamethyl-;B(9a)-Homo-19-norpregna-9(11),9a-diene-3,20-diamine,N3,N3,4,4,14-pentamethyl-,(3β,5α,20S)-;Buxamine;(αS,3S,3aR,9S,10aR,12aR,12bS)-9-(Dimethylamino)-1,2,3,3a,4,7,8,9,10,10a,11,12,12a,12b-tetradecahydro-α,3a,10,10,12b-pentamethylbenzo[4,5]cyclohept[1,2-e]indene-3-methanamine;Buxamine E;Benzo[4,5]cyclohept[1,2-e]indene-3-methanamine,9-(dimethylamino)-1,2,3,3a,4,7,8,9,10,10a,11,12,12a,12b-tetradecahydro-α,3a,10,10,12b-pentamethyl-,[3S-[3α(R*),3aα,9α,10aβ,12aα,12bβ]]-;11037-97-1

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Description

Buxamine E is a steroid alkaloid.

(αS,3S,3aR,9S,10aR,12aR,12bS)-9-(Dimethylamino)-1,2,3,3a,4,7,8,9,10,10a,11,12,12a,12b-tetradecahydro-α,3a,10,10,12b-pentamethylbenzo[4,5]cyclohept[1,2-e]indene-3-methanamine Basic Attributes

Molecular Weight：

384.64096

Exact Mass：

384.64

DSSTox ID：

DTXSID50332025

Characteristics

PSA：

29.3

XLogP3：

5.4

Density：

1.01g/cm3

Boiling Point：

488.9ºC at 760mmHg

Flash Point：

241ºC

Refractive Index：

1.549

Vapor Pressure：

1.04E-09mmHg at 25°C

Computed Properties

Molecular Weight:384.6
XLogP3:5.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:384.350449412
Monoisotopic Mass:384.350449412
Topological Polar Surface Area:29.3
Heavy Atom Count:28
Complexity:687
Defined Atom Stereocenter Count:7
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of (αS,3S,3aR,9S,10aR,12aR,12bS)-9-(Dimethylamino)-1,2,3,3a,4,7,8,9,10,10a,11,12,12a,12b-tetradecahydro-α,3a,10,10,12b-pentamethylbenzo[4,5]cyclohept[1,2-e]indene-3-methanamine

Description
Basic Attributes
Characteristics
Computed Properties

(αS,3S,3aR,9S,10aR,12aR,12bS)-9-(Dimethylamino)-1,2,3,3a,4,7,8,9,10,10a,11,12,12a,12b-tetradecahydro-α,3a,10,10,12b-pentamethylbenzo[4,5]cyclohept[1,2-e]indene-3-methanamine

SDS

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