 Home > Encyclopedia > (4aR,16aS)-3,4,4a,5,16a,17,18,19-Octahydro-21,22,26-trimethoxy-4,17-dimethyl-2H-1,24:12,15-dietheno-6,10-metheno-16H-pyrido[2′,3′:17,18][1,10]dioxacycloeicosino[2,3,4-ij]isoquinolin-9-ol

(4aR,16aS)-3,4,4a,5,16a,17,18,19-Octahydro-21,22,26-trimethoxy-4,17-dimethyl-2H-1,24:12,15-dietheno-6,10-metheno-16H-pyrido[2′,3′:17,18][1,10]dioxacycloeicosino[2,3,4-ij]isoquinolin-9-ol

(4aR,16aS)-3,4,4a,5,16a,17,18,19-Octahydro-21,22,26-trimethoxy-4,17-dimethyl-2H-1,24:12,15-dietheno-6,10-metheno-16H-pyrido[2′,3′:17,18][1,10]dioxacycloeicosino[2,3,4-ij]isoquinolin-9-ol structure

CAS No:
548-40-3
Formula:
C37H40N2O6
Chemical Name:
(4aR,16aS)-3,4,4a,5,16a,17,18,19-Octahydro-21,22,26-trimethoxy-4,17-dimethyl-2H-1,24:12,15-dietheno-6,10-metheno-16H-pyrido[2′,3′:17,18][1,10]dioxacycloeicosino[2,3,4-ij]isoquinolin-9-ol
Synonyms:
2H-1,24:12,15-Dietheno-6,10-metheno-16H-pyrido[2′,3′:17,18][1,10]dioxacycloeicosino[2,3,4-ij]isoquinolin-9-ol,3,4,4a,5,16a,17,18,19-octahydro-21,22,26-trimethoxy-4,17-dimethyl-,(4aR,16aS)-;Oxyacanthine;Oxyacanthan-12′-ol,6,6′,7-trimethoxy-2,2′-dimethyl-;(4aR,16aS)-3,4,4a,5,16a,17,18,19-Octahydro-21,22,26-trimethoxy-4,17-dimethyl-2H-1,24:12,15-dietheno-6,10-metheno-16H-pyrido[2′,3′:17,18][1,10]dioxacycloeicosino[2,3,4-ij]isoquinolin-9-ol;N-Methylocoteamine;N-Methylsepeerine;(+)-Oxyacanthine;2H-1,24:12,15-Dietheno-6,10-metheno-16H-pyrido[2′,3′:17,18][1,10]dioxacycloeicosino[2,3,4-ij]isoquinolin-9-ol,3,4,4a,5,16a,17,18,19-octahydro-21,22,26-trimethoxy-4,17-dimethyl-,[4aR-(4aR*,16aS*)]-;NSC 93135;28639-25-0;62018-86-4;328288-56-8;340818-30-6;345945-83-7;401464-63-9;676529-96-7

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Description

ChEBI: A macrocycle that is oxyacanthan that is substituted by methoxy groups at positions 6, 6', and 7, methyl groups at positions 2 and 2', and a hydroxy group at the 12' position.

Oxyacanthine is a macrocycle that is oxyacanthan that is substituted by methoxy groups at positions 6, 6', and 7, methyl groups at positions 2 and 2', and a hydroxy group at the 12' position. It is a macrocycle, a member of isoquinolines, a tertiary amino compound, a member of phenols and a bisbenzylisoquinoline alkaloid. It derives from a hydride of an oxyacanthan.

(4aR,16aS)-3,4,4a,5,16a,17,18,19-Octahydro-21,22,26-trimethoxy-4,17-dimethyl-2H-1,24:12,15-dietheno-6,10-metheno-16H-pyrido[2′,3′:17,18][1,10]dioxacycloeicosino[2,3,4-ij]isoquinolin-9-ol Basic Attributes

Molecular Weight：

608.735

Exact Mass：

608.72

EC Number：

208-946-8

Characteristics

PSA：

72.9

XLogP3：

6.73520

Density：

1.204g/cm3

Melting Point：

216-217 °C

Boiling Point：

707ºC at 760mmHg

Flash Point：

381.4ºC

Refractive Index：

1.601

Drug Information

MeSH Entry Terms：

oxyacanthine

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 (4aR,16aS)-3,4,4a,5,16a,17,18,19-Octahydro-21,22,26-trimethoxy-4,17-dimethyl-2H-1,24:12,15-dietheno-6,10-metheno-16H-pyrido[2′,3′:17,18][1,10]dioxacycloeicosino[2,3,4-ij]isoquinolin-9-ol

Description
Basic Attributes
Characteristics
Drug Information
Computed Properties

(4aR,16aS)-3,4,4a,5,16a,17,18,19-Octahydro-21,22,26-trimethoxy-4,17-dimethyl-2H-1,24:12,15-dietheno-6,10-metheno-16H-pyrido[2′,3′:17,18][1,10]dioxacycloeicosino[2,3,4-ij]isoquinolin-9-ol

SDS

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