 Home > Encyclopedia > (3Z,5S)-3-[[(1S,4aR,6S,8R,8aR)-2-[(2S,3S)-2,3-dimethyloxiran-2-yl]-6,8-dimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]-hydroxymethylidene]-1-methyl-5-propan-2-ylpyrrolidine-2,4-dione

(3Z,5S)-3-[[(1S,4aR,6S,8R,8aR)-2-[(2S,3S)-2,3-dimethyloxiran-2-yl]-6,8-dimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]-hydroxymethylidene]-1-methyl-5-propan-2-ylpyrrolidine-2,4-dione

(3Z,5S)-3-[[(1S,4aR,6S,8R,8aR)-2-[(2S,3S)-2,3-dimethyloxiran-2-yl]-6,8-dimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]-hydroxymethylidene]-1-methyl-5-propan-2-ylpyrrolidine-2,4-dione structure

CAS No:
122301-98-8
Formula:
C25H37NO4
Chemical Name:
(3Z,5S)-3-[[(1S,4aR,6S,8R,8aR)-2-[(2S,3S)-2,3-dimethyloxiran-2-yl]-6,8-dimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]-hydroxymethylidene]-1-methyl-5-propan-2-ylpyrrolidine-2,4-dione
Synonyms:
Vermisporin; (2S)-4-[(1S,4aR,6S,8R,8aR)-2-[(2S,3S)-2,3-dimethyloxiran-2-yl]-6,8-dimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalene-1-carbonyl]-5-hydroxy-1-methyl-2-propan-2-yl-2H-pyrrol-3-one;

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(3Z,5S)-3-[[(1S,4aR,6S,8R,8aR)-2-[(2S,3S)-2,3-dimethyloxiran-2-yl]-6,8-dimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]-hydroxymethylidene]-1-methyl-5-propan-2-ylpyrrolidine-2,4-dione Basic Attributes

Molecular Weight：

415.56600

Exact Mass：

415.27225866

Characteristics

PSA：

70.14000

XLogP3：

4.08010

Density：

1.123g/cm3

Boiling Point：

521ºC

Flash Point：

268.3ºC

Refractive Index：

1.538

Vapor Pressure：

5.44E-13mmHg at 25°C

Drug Information

MeSH Entry Terms：

vermisporin

Computed Properties

Molecular Weight:415.6
XLogP3:5.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:415.27225866
Monoisotopic Mass:415.27225866
Topological Polar Surface Area:70.1
Heavy Atom Count:30
Complexity:814
Defined Atom Stereocenter Count:8
Undefined Atom Stereocenter Count:1
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of (3Z,5S)-3-[[(1S,4aR,6S,8R,8aR)-2-[(2S,3S)-2,3-dimethyloxiran-2-yl]-6,8-dimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]-hydroxymethylidene]-1-methyl-5-propan-2-ylpyrrolidine-2,4-dione

Basic Attributes
Characteristics
Drug Information
Computed Properties

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