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(1S)-1α-(β-D-Glucopyranosyloxy)-5β-hydroxy-7-(acetoxymethyl)-1,4aα,5,7aα-tetrahydrocyclopenta[c]pyran-4-carboxylic acid methyl ester

(1S)-1α-(β-D-Glucopyranosyloxy)-5β-hydroxy-7-(acetoxymethyl)-1,4aα,5,7aα-tetrahydrocyclopenta[c]pyran-4-carboxylic acid methyl ester structure

CAS No:
14260-99-2
Formula:
C19H26O12
Chemical Name:
(1S)-1α-(β-D-Glucopyranosyloxy)-5β-hydroxy-7-(acetoxymethyl)-1,4aα,5,7aα-tetrahydrocyclopenta[c]pyran-4-carboxylic acid methyl ester
Synonyms:
(1S)-1α-(β-D-Glucopyranosyloxy)-5β-hydroxy-7-(acetoxymethyl)-1,4aα,5,7aα-tetrahydrocyclopenta[c]pyran-4-carboxylic acid methyl ester;(1S)-7-(Acetoxymethyl)-1α-(β-D-glucopyranosyloxy)-1,4aα,5,7aα-tetrahydro-5β-hydroxycyclopenta[c]pyran-4-carboxylic acid methyl ester;(1S,4aα,7aα)-7-[(Acetyloxy)methyl]-1α-(β-D-glucopyranosyloxy)-1,4a,5,7a-tetrahydro-5β-hydroxycyclopenta[c]pyran-4-carboxylic acid methyl ester;Asperulosidic acid methyl ester;Daphylloside;Methyl asperulosidic acid
Categories:
Natural Products > Iridoid Derivatives

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Description

Daphylloside is an iridoid isolated from the aerial parts of Galium verum.

(1S)-1α-(β-D-Glucopyranosyloxy)-5β-hydroxy-7-(acetoxymethyl)-1,4aα,5,7aα-tetrahydrocyclopenta[c]pyran-4-carboxylic acid methyl ester Basic Attributes

Molecular Weight：

446.405

Exact Mass：

446.142426

Characteristics

PSA：

181.44000

XLogP3：

-2.47

Density：

1.6±0.1 g/cm3

Boiling Point：

678.3±55.0 °C at 760 mmHg

Flash Point：

237.7±25.0 °C

Refractive Index：

1.610

Computed Properties

Molecular Weight:446.4
XLogP3:-2.9
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:12
Rotatable Bond Count:8
Exact Mass:446.14242626
Monoisotopic Mass:446.14242626
Topological Polar Surface Area:181
Heavy Atom Count:31
Complexity:748
Defined Atom Stereocenter Count:9
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of (1S)-1α-(β-D-Glucopyranosyloxy)-5β-hydroxy-7-(acetoxymethyl)-1,4aα,5,7aα-tetrahydrocyclopenta[c]pyran-4-carboxylic acid methyl ester

Description
Basic Attributes
Characteristics
Computed Properties
Learn More Other Chemicals

(1S)-1α-(β-D-Glucopyranosyloxy)-5β-hydroxy-7-(acetoxymethyl)-1,4aα,5,7aα-tetrahydrocyclopenta[c]pyran-4-carboxylic acid methyl ester

SDS

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