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Genipin gentiobioside

Genipin gentiobioside structure

CAS No:
29307-60-6
Formula:
C23H34O15
Chemical Name:
Genipin gentiobioside
Synonyms:
Cyclopenta[c]pyran-4-carboxylic acid,1-[(6-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy]-1,4a,5,7a-tetrahydro-7-(hydroxymethyl)-,methyl ester,(1S,4aS,7aS)-;Cyclopenta[c]pyran-4-carboxylic acid,1α-[(6-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy]-1,4aα,5,7aα-tetrahydro-7-(hydroxymethyl)-,methyl ester;Cyclopenta[c]pyran-4-carboxylic acid,1-[(6-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy]-1,4a,5,7a-tetrahydro-7-(hydroxymethyl)-,methyl ester,[1S-(1α,4aα,7aα)]-;Glucopyranoside,genipin-1 6-O-β-D-glucopyranosyl-,β-D-;Genipin gentiobioside;Genipin 1-β-gentiobioside;Genipin 1-O-gentiobioside;Genipin 1-β-D-gentiobioside;Genipin 1-O-β-D-gentiobioside;Genipin 1-gentiobioside;Genipin 1-O-β-D-isomalltoside;1638210-70-4
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

Genipin 1-beta-gentiobioside is a terpene glycoside.

Genipin gentiobioside Basic Attributes

Molecular Weight：

550.50700

Exact Mass：

550.51

UNII：

0NI5399RDZ

DSSTox ID：

DTXSID50183554

Characteristics

PSA：

234.29000

XLogP3：

-4.40490

Density：

1.63g/cm3

Boiling Point：

835.3ºC at 760mmHg

Flash Point：

281ºC

Refractive Index：

1.647

Vapor Pressure：

2.16E-32mmHg at 25°C

Drug Information

MeSH Entry Terms：

genipin 1-beta-gentiobioside

Computed Properties

Molecular Weight:550.5
XLogP3:-4.5
Hydrogen Bond Donor Count:8
Hydrogen Bond Acceptor Count:15
Rotatable Bond Count:9
Exact Mass:550.18977037
Monoisotopic Mass:550.18977037
Topological Polar Surface Area:234
Heavy Atom Count:38
Complexity:894
Defined Atom Stereocenter Count:13
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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