 Home > Encyclopedia > 2-Propenoic acid, 2-methyl-, (1aR,3R,8S,8aR,11aS,11bR)-1a,2,3,7,8,8a,9,10,11a,11b-decahydro-1a-methyl-9-methylene-5,10-dioxo-5H-3,6-methenofuro[2,3-f]oxireno[d]oxacycloundecin-8-yl ester

2-Propenoic acid, 2-methyl-, (1aR,3R,8S,8aR,11aS,11bR)-1a,2,3,7,8,8a,9,10,11a,11b-decahydro-1a-methyl-9-methylene-5,10-dioxo-5H-3,6-methenofuro[2,3-f]oxireno[d]oxacycloundecin-8-yl ester

2-Propenoic acid, 2-methyl-, (1aR,3R,8S,8aR,11aS,11bR)-1a,2,3,7,8,8a,9,10,11a,11b-decahydro-1a-methyl-9-methylene-5,10-dioxo-5H-3,6-methenofuro[2,3-f]oxireno[d]oxacycloundecin-8-yl ester structure

CAS No:
13017-11-3
Formula:
C19H20O7
Chemical Name:
2-Propenoic acid, 2-methyl-, (1aR,3R,8S,8aR,11aS,11bR)-1a,2,3,7,8,8a,9,10,11a,11b-decahydro-1a-methyl-9-methylene-5,10-dioxo-5H-3,6-methenofuro[2,3-f]oxireno[d]oxacycloundecin-8-yl ester
Synonyms:
2-Propenoic acid,2-methyl-,(1aR,3R,8S,8aR,11aS,11bR)-1a,2,3,7,8,8a,9,10,11a,11b-decahydro-1a-methyl-9-methylene-5,10-dioxo-5H-3,6-methenofuro[2,3-f]oxireno[d]oxacycloundecin-8-yl ester;Elephantopin;Germacra-1(10),11(13)-diene-12,14-dioic acid,4,5α-epoxy-2β,6α,8α-trihydroxy-,12,6:14,2-dilactone,methacrylate;2-Propenoic acid,2-methyl-,1a,2,3,7,8,8a,9,10,11a,11b-decahydro-1a-methyl-9-methylene-5,10-dioxo-5H-3,6-methenofuro[2,3-f]oxireno[d]oxacycloundecin-8-yl ester,[1aR-(1aR*,3R*,8S*,8aR*,11aS*,11bR*)]-;5H-3,6-Methenofuro[2,3-f]oxireno[d]oxacycloundecin,2-propenoic acid deriv.;NSC 100046;21899-51-4;25877-07-0

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Description

Elephantopin is a gamma-lactone.

2-Propenoic acid, 2-methyl-, (1aR,3R,8S,8aR,11aS,11bR)-1a,2,3,7,8,8a,9,10,11a,11b-decahydro-1a-methyl-9-methylene-5,10-dioxo-5H-3,6-methenofuro[2,3-f]oxireno[d]oxacycloundecin-8-yl ester Basic Attributes

Molecular Weight：

360.3579

Exact Mass：

360.36

NSC Number：

100046

Characteristics

PSA：

91.4

XLogP3：

1.37520

Density：

1.34g/cm3

Melting Point：

262-264 °C

Boiling Point：

593.7ºC at 760mmHg

Flash Point：

262.3ºC

Refractive Index：

1.568

Drug Information

MeSH Entry Terms：

elephantopin

2-Propenoic acid, 2-methyl-, (1aR,3R,8S,8aR,11aS,11bR)-1a,2,3,7,8,8a,9,10,11a,11b-decahydro-1a-methyl-9-methylene-5,10-dioxo-5H-3,6-methenofuro[2,3-f]oxireno[d]oxacycloundecin-8-yl ester Use and Manufacturing

Use Classification：

Lipids -> Prenol Lipids [PR] -> Isoprenoids [PR01] -> C15 isoprenoids (sesquiterpenes) [PR0103]

Computed Properties

Molecular Weight:360.4
XLogP3:0.7
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:3
Exact Mass:360.12090297
Monoisotopic Mass:360.12090297
Topological Polar Surface Area:91.4
Heavy Atom Count:26
Complexity:779
Defined Atom Stereocenter Count:6
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-Propenoic acid, 2-methyl-, (1aR,3R,8S,8aR,11aS,11bR)-1a,2,3,7,8,8a,9,10,11a,11b-decahydro-1a-methyl-9-methylene-5,10-dioxo-5H-3,6-methenofuro[2,3-f]oxireno[d]oxacycloundecin-8-yl ester

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

2-Propenoic acid, 2-methyl-, (1aR,3R,8S,8aR,11aS,11bR)-1a,2,3,7,8,8a,9,10,11a,11b-decahydro-1a-methyl-9-methylene-5,10-dioxo-5H-3,6-methenofuro[2,3-f]oxireno[d]oxacycloundecin-8-yl ester

SDS

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