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Propanoic acid, 2-methyl-, (3aR,4S,6Z,10Z,11aR)-2,3,3a,4,5,8,9,11a-octahydro-6,10-bis(hydroxymethyl)-3-methylene-2-oxocyclodeca[b]furan-4-yl ester

Propanoic acid, 2-methyl-, (3aR,4S,6Z,10Z,11aR)-2,3,3a,4,5,8,9,11a-octahydro-6,10-bis(hydroxymethyl)-3-methylene-2-oxocyclodeca[b]furan-4-yl ester structure

CAS No:
41929-10-6
Formula:
C19H26O6
Chemical Name:
Propanoic acid, 2-methyl-, (3aR,4S,6Z,10Z,11aR)-2,3,3a,4,5,8,9,11a-octahydro-6,10-bis(hydroxymethyl)-3-methylene-2-oxocyclodeca[b]furan-4-yl ester
Synonyms:
Propanoic acid,2-methyl-,(3aR,4S,6Z,10Z,11aR)-2,3,3a,4,5,8,9,11a-octahydro-6,10-bis(hydroxymethyl)-3-methylene-2-oxocyclodeca[b]furan-4-yl ester;Propanoic acid,2-methyl-,2,3,3a,4,5,8,9,11a-octahydro-6,10-bis(hydroxymethyl)-3-methylene-2-oxocyclodeca[b]furan-4-yl ester,[3aR-(3aR*,4S*,6Z,10Z,11aR*)]-;Cyclodeca[b]furan,propanoic acid deriv.;Alatolide;Alatolid;NSC 295426

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Description

ChEBI: A germacrane sesquiterpenoid laactone obtained by formal condensation of the carboxy group of isobutyric acid with the secondary hydroxy group of trihydroxygermaeranolide.

Propanoic acid, 2-methyl-, (3aR,4S,6Z,10Z,11aR)-2,3,3a,4,5,8,9,11a-octahydro-6,10-bis(hydroxymethyl)-3-methylene-2-oxocyclodeca[b]furan-4-yl ester Basic Attributes

Molecular Weight：

350.4

Exact Mass：

350.41

Characteristics

PSA：

93.06000

XLogP3：

1.67330

Density：

1.21g/cm3

Boiling Point：

560.7ºC at 760 mmHg

Flash Point：

198.2ºC

Refractive Index：

1.547

Drug Information

MeSH Entry Terms：

alatolide

Computed Properties

Molecular Weight:350.4
XLogP3:1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:5
Exact Mass:350.17293854
Monoisotopic Mass:350.17293854
Topological Polar Surface Area:93.1
Heavy Atom Count:25
Complexity:601
Defined Atom Stereocenter Count:3
Undefined Bond Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of Propanoic acid, 2-methyl-, (3aR,4S,6Z,10Z,11aR)-2,3,3a,4,5,8,9,11a-octahydro-6,10-bis(hydroxymethyl)-3-methylene-2-oxocyclodeca[b]furan-4-yl ester

Description
Basic Attributes
Characteristics
Drug Information
Computed Properties
Learn More Other Chemicals

Propanoic acid, 2-methyl-, (3aR,4S,6Z,10Z,11aR)-2,3,3a,4,5,8,9,11a-octahydro-6,10-bis(hydroxymethyl)-3-methylene-2-oxocyclodeca[b]furan-4-yl ester

SDS

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