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Secologanin

Secologanin structure

CAS No:
19351-63-4
Formula:
C17H24O10
Chemical Name:
Secologanin
Synonyms:
2H-Pyran-5-carboxylic acid,3-ethenyl-2-(β-D-glucopyranosyloxy)-3,4-dihydro-4-(2-oxoethyl)-,methyl ester,(2S,3R,4S)-;Secologanin;2H-Pyran-5-carboxylic acid,3-ethenyl-2-(β-D-glucopyranosyloxy)-3,4-dihydro-4-(2-oxoethyl)-,methyl ester,[2S-(2α,3β,4β)]-;Loniceroside;Loniceroside (iridoid);NSC 640525;27851-55-4
Categories:
Biochemical Engineering > Saccharides

Description

(-)-secologanin is an iridoid monoterpenoid that is acetaldehyde in which on of the hydrogens of the methyl group has been replaced by a 2-(beta-D-glucopyranosyloxy)-3,4-dihydro-2H-pyran-4-yl group which is substituted at positions 3 and 5 by a vinyl and a methoxycarbonyl group, respectively (the 2S,3R,4S stereoisomer). It has a role as a plant metabolite. It is a beta-D-glucoside, a methyl ester, an aldehyde, an enoate ester, a secoiridoid glycoside and a member of pyrans.

Secologanin Basic Attributes

Molecular Weight：

507.74

Exact Mass：

388.37

Characteristics

PSA：

151.98000

XLogP3：

0.20990

Density：

1.42±0.1 g/cm3(Predicted)

Boiling Point：

595.5±50.0 °C(Predicted)

Flash Point：

212.2ºC

Refractive Index：

1.571

Storage Conditions：

−20°C

Vapor Pressure：

1.15E-16mmHg at 25°C

Collision Cross Section：

191.96 Å² [M+Na]+ [CCS Type: DT, Method: stepped-field]|191.59 Å² [M-H]- [CCS Type: DT, Method: stepped-field]|190.9 Å² [M-H]-

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

Drug Information

MeSH Entry Terms：

secologanin

Secologanin Use and Manufacturing

Use Classification：

Lipids -> Prenol Lipids [PR] -> Isoprenoids [PR01] -> C10 isoprenoids (monoterpenes) [PR0102]

Computed Properties

Molecular Weight:388.4
XLogP3:-1.6
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:8
Exact Mass:388.13694696
Monoisotopic Mass:388.13694696
Topological Polar Surface Area:152
Heavy Atom Count:27
Complexity:576
Defined Atom Stereocenter Count:8
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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SECOLOGANIN, CAS:19351-63-4

Unit Price: $30-32 /KG FOB

CAS No.: 19351-63-4

Grade: Reagent Grade

Content: 99%

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Guide of Secologanin

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
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