EUCALYPTOSIN A

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C20H27NO11
Molecular Weight	457.4285
Optical Activity	UNSPECIFIED
Defined Stereocenters	11 / 11
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]3(O[C@H]1[C@H](O[C@@H](C#N)C2=CC=CC=C2)O[C@H](CO)[C@@H](O)[C@@H]1O)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O

InChI

InChIKey=YGHHWSRCTPQFFC-YSCNKMLASA-N

InChI=1S/C20H27NO11/c21-6-10(9-4-2-1-3-5-9)29-20-18(16(27)14(25)12(8-23)31-20)32-19-17(28)15(26)13(24)11(7-22)30-19/h1-5,10-20,22-28H,7-8H2/t10-,11+,12+,13+,14+,15-,16-,17+,18+,19-,20+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C20H27NO11
Molecular Weight	457.4285
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	11 / 11
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 09:35:24 GMT 2023` Edited by `admin` on `Sat Dec 16 09:35:24 GMT 2023`
Record UNII	3J363KK66E
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

EUCALYPTOSIN A

Common Name

English

BENZENEACETONITRILE, .ALPHA.-((2-O-.BETA.-D-GLUCOPYRANOSYL-.BETA.-D-GLUCOPYRANOSYL)OXY)-, (.ALPHA.R)-

Systematic Name

English

ALPHA-((2-O-BETA-D-GLUCOPYRANOSYL-BETA-D-GLUCOPYRANOSYL)OXY)BENZENEACETONITRILE, (R)-

Systematic Name

English

BENZENEACETONITRILE, .ALPHA.-((2-O-.BETA.-D-GLUCOPYRANOSYL-.BETA.-D-GLUCOPYRANOSYL)OXY)-, (R)-

Systematic Name

English

(2R)-2-((2R,3R,4S,5S,6R)-4,5-DIHYDROXY-6-(HYDROXYMETHYL)-3-((2S,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)TETRAHYDROPYRAN-2-YL)OXY-TETRAHYDROPYRAN-2-YL)OXY-2-PHENYL-ACETONITRILE

Systematic Name

English

Code System Code Type Description

FDA UNII

3J363KK66E

Created by admin on Sat Dec 16 09:35:24 GMT 2023 , Edited by admin on Sat Dec 16 09:35:24 GMT 2023

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CAS

99520-78-2

Created by admin on Sat Dec 16 09:35:24 GMT 2023 , Edited by admin on Sat Dec 16 09:35:24 GMT 2023

PRIMARY

PUBCHEM

123133484

Created by admin on Sat Dec 16 09:35:24 GMT 2023 , Edited by admin on Sat Dec 16 09:35:24 GMT 2023

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EPA CompTox

DTXSID101145422

Created by admin on Sat Dec 16 09:35:24 GMT 2023 , Edited by admin on Sat Dec 16 09:35:24 GMT 2023

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