 Home > Encyclopedia > Methyl 2-[2-[(2R,3aS,4R,5R,6aS)-octahydro-5-hydroxy-4-[(1E,3S,5S)-3-hydroxy-5-methyl-1-nonen-1-yl]-2-pentalenyl]ethoxy]acetate

Methyl 2-[2-[(2R,3aS,4R,5R,6aS)-octahydro-5-hydroxy-4-[(1E,3S,5S)-3-hydroxy-5-methyl-1-nonen-1-yl]-2-pentalenyl]ethoxy]acetate

Methyl 2-[2-[(2R,3aS,4R,5R,6aS)-octahydro-5-hydroxy-4-[(1E,3S,5S)-3-hydroxy-5-methyl-1-nonen-1-yl]-2-pentalenyl]ethoxy]acetate structure

CAS No:
139403-31-9
Formula:
C23H40O5
Chemical Name:
Methyl 2-[2-[(2R,3aS,4R,5R,6aS)-octahydro-5-hydroxy-4-[(1E,3S,5S)-3-hydroxy-5-methyl-1-nonen-1-yl]-2-pentalenyl]ethoxy]acetate
Synonyms:
Acetic acid,2-[2-[(2R,3aS,4R,5R,6aS)-octahydro-5-hydroxy-4-[(1E,3S,5S)-3-hydroxy-5-methyl-1-nonen-1-yl]-2-pentalenyl]ethoxy]-,methyl ester;Acetic acid,[2-[octahydro-5-hydroxy-4-(3-hydroxy-5-methyl-1-nonenyl)-2-pentalenyl]ethoxy]-,methyl ester,[2R-[2α,3aα,4α(1E,3S*,5S*),5β,6aα]]-;Acetic acid,[2-[(2R,3aS,4R,5R,6aS)-octahydro-5-hydroxy-4-[(1E,3S,5S)-3-hydroxy-5-methyl-1-nonenyl]-2-pentalenyl]ethoxy]-,methyl ester;Methyl 2-[2-[(2R,3aS,4R,5R,6aS)-octahydro-5-hydroxy-4-[(1E,3S,5S)-3-hydroxy-5-methyl-1-nonen-1-yl]-2-pentalenyl]ethoxy]acetate;SM 10902;(+)-Methyl [2-[(2R,3aS,4R,5R,6aS)-octahydro-5-hydroxy-4-[(1E,3S,5S)-3-hydroxy-5-methyl-1-nonenyl]-2-pentalenyl]ethoxy]acetate;Pimilprost
Categories:
Biochemical Engineering > Inflammation Mediators

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Description

Pimilprost is a monoterpenoid.

Methyl 2-[2-[(2R,3aS,4R,5R,6aS)-octahydro-5-hydroxy-4-[(1E,3S,5S)-3-hydroxy-5-methyl-1-nonen-1-yl]-2-pentalenyl]ethoxy]acetate Basic Attributes

Molecular Weight：

396.56100

Exact Mass：

396.56

UNII：

O316O1ZGEG

Characteristics

PSA：

75.99000

XLogP3：

3.72280

Density：

1.081g/cm3

Boiling Point：

505.9ºC at 760mmHg

Flash Point：

162.4ºC

Refractive Index：

1.528

Vapor Pressure：

2.37E-12mmHg at 25°C

Drug Information

MeSH Entry Terms：

SM 10902

Computed Properties

Molecular Weight:396.6
XLogP3:4.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:13
Exact Mass:396.28757437
Monoisotopic Mass:396.28757437
Topological Polar Surface Area:76
Heavy Atom Count:28
Complexity:491
Defined Atom Stereocenter Count:7
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of Methyl 2-[2-[(2R,3aS,4R,5R,6aS)-octahydro-5-hydroxy-4-[(1E,3S,5S)-3-hydroxy-5-methyl-1-nonen-1-yl]-2-pentalenyl]ethoxy]acetate

Description
Basic Attributes
Characteristics
Drug Information
Computed Properties
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