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(12aS)-2,3,12,12a-Tetrahydro-6,9,10-trimethoxy-1H-[1]benzoxepino[2,3,4-ij]isoquinoline

(12aS)-2,3,12,12a-Tetrahydro-6,9,10-trimethoxy-1H-[1]benzoxepino[2,3,4-ij]isoquinoline structure

CAS No:
479-42-5
Formula:
C19H21NO4
Chemical Name:
(12aS)-2,3,12,12a-Tetrahydro-6,9,10-trimethoxy-1H-[1]benzoxepino[2,3,4-ij]isoquinoline
Synonyms:
1H-[1]Benzoxepino[2,3,4-ij]isoquinoline,2,3,12,12a-tetrahydro-6,9,10-trimethoxy-,(12aS)-;Cularimine;1H-[1]Benzoxepino[2,3,4-ij]isoquinoline,2,3,12,12a-tetrahydro-6,9,10-trimethoxy-,(S)-;(12aS)-2,3,12,12a-Tetrahydro-6,9,10-trimethoxy-1H-[1]benzoxepino[2,3,4-ij]isoquinoline;(+)-Cularimine

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Description

Cularimine is an alkaloid.

(12aS)-2,3,12,12a-Tetrahydro-6,9,10-trimethoxy-1H-[1]benzoxepino[2,3,4-ij]isoquinoline Basic Attributes

Molecular Weight：

327.4 g/mol

Exact Mass：

327.37

DSSTox ID：

DTXSID30331773

Characteristics

PSA：

49 Å²

Melting Point：

102 °C

Computed Properties

Molecular Weight:327.4
XLogP3:2.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:327.14705815
Monoisotopic Mass:327.14705815
Topological Polar Surface Area:49
Heavy Atom Count:24
Complexity:434
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of (12aS)-2,3,12,12a-Tetrahydro-6,9,10-trimethoxy-1H-[1]benzoxepino[2,3,4-ij]isoquinoline

Description
Basic Attributes
Characteristics
Computed Properties

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