 Home > Encyclopedia > (3aR,4S,7aR)-2,3,3a,4,7,7a-Hexahydro-6-(hydroxymethyl)-5-[(1S)-4-hydroxy-1-methylbutyl]-3-methylene-2-oxo-4-benzofuranyl (2Z)-2-methyl-2-butenoate

(3aR,4S,7aR)-2,3,3a,4,7,7a-Hexahydro-6-(hydroxymethyl)-5-[(1S)-4-hydroxy-1-methylbutyl]-3-methylene-2-oxo-4-benzofuranyl (2Z)-2-methyl-2-butenoate

(3aR,4S,7aR)-2,3,3a,4,7,7a-Hexahydro-6-(hydroxymethyl)-5-[(1S)-4-hydroxy-1-methylbutyl]-3-methylene-2-oxo-4-benzofuranyl (2Z)-2-methyl-2-butenoate structure

CAS No:
52617-35-3
Formula:
C20H28O6
Chemical Name:
(3aR,4S,7aR)-2,3,3a,4,7,7a-Hexahydro-6-(hydroxymethyl)-5-[(1S)-4-hydroxy-1-methylbutyl]-3-methylene-2-oxo-4-benzofuranyl (2Z)-2-methyl-2-butenoate
Synonyms:
2-Butenoic acid,2-methyl-,(3aR,4S,7aR)-2,3,3a,4,7,7a-hexahydro-6-(hydroxymethyl)-5-[(1S)-4-hydroxy-1-methylbutyl]-3-methylene-2-oxo-4-benzofuranyl ester,(2Z)-;2-Butenoic acid,2-methyl-,2,3,3a,4,7,7a-hexahydro-6-(hydroxymethyl)-5-(4-hydroxy-1-methylbutyl)-3-methylene-2-oxo-4-benzofuranyl ester,[3aα,4α(Z),5(S*),7aα]-(-)-;(3aR,4S,7aR)-2,3,3a,4,7,7a-Hexahydro-6-(hydroxymethyl)-5-[(1S)-4-hydroxy-1-methylbutyl]-3-methylene-2-oxo-4-benzofuranyl (2Z)-2-methyl-2-butenoate;Eriolangin;NSC 182855;(-)-Eriolangin

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Description

Eriolangin is a sesquiterpenoid.

(3aR,4S,7aR)-2,3,3a,4,7,7a-Hexahydro-6-(hydroxymethyl)-5-[(1S)-4-hydroxy-1-methylbutyl]-3-methylene-2-oxo-4-benzofuranyl (2Z)-2-methyl-2-butenoate Basic Attributes

Molecular Weight：

364.43272

Exact Mass：

364.43

NSC Number：

182855

DSSTox ID：

DTXSID80415118

Characteristics

PSA：

93.1

XLogP3：

1.3

Density：

1.19±0.1 g/cm3(Predicted)

Boiling Point：

560ºC at 760 mmHg

Flash Point：

194.8ºC

Refractive Index：

1.542

Drug Information

MeSH Entry Terms：

eriolangin

Computed Properties

Molecular Weight:364.4
XLogP3:1.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:8
Exact Mass:364.18858861
Monoisotopic Mass:364.18858861
Topological Polar Surface Area:93.1
Heavy Atom Count:26
Complexity:645
Defined Atom Stereocenter Count:4
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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(2E)-3-Phenyl-2-propen-1-yl (2Z)-2-methyl-2-butenoate Formula

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Hexyl (2Z)-2-methyl-2-butenoate Formula

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3-Methylpentyl (2Z)-2-methyl-2-butenoate Structure

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(3aR,4R,6R,6aR,7R,9aS,9bS)-6-(Chloromethyl)-2,3,3a,4,5,6,6a,7,9a,9b-decahydro-6,7,9a-trihydroxy-9-methyl-3-methylene-2-oxoazuleno[4,5-b]furan-4-yl (2Z)-2-methyl-2-butenoate Structure

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Guide of (3aR,4S,7aR)-2,3,3a,4,7,7a-Hexahydro-6-(hydroxymethyl)-5-[(1S)-4-hydroxy-1-methylbutyl]-3-methylene-2-oxo-4-benzofuranyl (2Z)-2-methyl-2-butenoate

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

(3aR,4S,7aR)-2,3,3a,4,7,7a-Hexahydro-6-(hydroxymethyl)-5-[(1S)-4-hydroxy-1-methylbutyl]-3-methylene-2-oxo-4-benzofuranyl (2Z)-2-methyl-2-butenoate

SDS

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