 Home > Encyclopedia > [(1S,7aR)-Hexahydro-1H-pyrrolizin-1-yl]methyl 4-(β-D-glucopyranosyloxy)-3,5-bis(3-methyl-2-buten-1-yl)benzoate

[(1S,7aR)-Hexahydro-1H-pyrrolizin-1-yl]methyl 4-(β-D-glucopyranosyloxy)-3,5-bis(3-methyl-2-buten-1-yl)benzoate

[(1S,7aR)-Hexahydro-1H-pyrrolizin-1-yl]methyl 4-(β-D-glucopyranosyloxy)-3,5-bis(3-methyl-2-buten-1-yl)benzoate structure

CAS No:
22595-00-2
Formula:
C31H45NO8
Chemical Name:
[(1S,7aR)-Hexahydro-1H-pyrrolizin-1-yl]methyl 4-(β-D-glucopyranosyloxy)-3,5-bis(3-methyl-2-buten-1-yl)benzoate
Synonyms:
Benzoic acid,4-(β-D-glucopyranosyloxy)-3,5-bis(3-methyl-2-buten-1-yl)-,[(1S,7aR)-hexahydro-1H-pyrrolizin-1-yl]methyl ester;Laburnine,4-(β-D-glucopyranosyloxy)-3,5-bis(3-methyl-2-butenyl)benzoate (ester);Benzoic acid,4-(β-D-glucopyranosyloxy)-3,5-bis(3-methyl-2-butenyl)-,(hexahydro-1H-pyrrolizin-1-yl)methyl ester,(1R-cis)-;Benzoic acid,4-(β-D-glucopyranosyloxy)-3,5-bis(3-methyl-2-butenyl)-,[(1S,7aR)-hexahydro-1H-pyrrolizin-1-yl]methyl ester;[(1S,7aR)-Hexahydro-1H-pyrrolizin-1-yl]methyl 4-(β-D-glucopyranosyloxy)-3,5-bis(3-methyl-2-buten-1-yl)benzoate;Auriculine

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Description

Auriculine is a L-alpha-D-Hepp-(1->7)-L-alpha-D-Hepp-(1->3)-L-alpha-D-Hepp-(1->5)-alpha-Kdo.

[(1S,7aR)-Hexahydro-1H-pyrrolizin-1-yl]methyl 4-(β-D-glucopyranosyloxy)-3,5-bis(3-methyl-2-buten-1-yl)benzoate Basic Attributes

Molecular Weight：

559.6909

Exact Mass：

559.69

DSSTox ID：

DTXSID00331922

Characteristics

PSA：

129

XLogP3：

4.4

Vapor Pressure：

6.81E-22mmHg at 25°C

Computed Properties

Molecular Weight:559.7
XLogP3:4.4
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:11
Exact Mass:559.31451739
Monoisotopic Mass:559.31451739
Topological Polar Surface Area:129
Heavy Atom Count:40
Complexity:870
Defined Atom Stereocenter Count:7
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of [(1S,7aR)-Hexahydro-1H-pyrrolizin-1-yl]methyl 4-(β-D-glucopyranosyloxy)-3,5-bis(3-methyl-2-buten-1-yl)benzoate

Description
Basic Attributes
Characteristics
Computed Properties

[(1S,7aR)-Hexahydro-1H-pyrrolizin-1-yl]methyl 4-(β-D-glucopyranosyloxy)-3,5-bis(3-methyl-2-buten-1-yl)benzoate

SDS

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