Mycophenolic acid acyl-β-D-glucoside

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C23H30O11
Molecular Weight	482.4777
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of Mycophenolic acid acyl-β-D-glucoside

Structure Search

SMILES

COC1=C(C\C=C(/C)CCC(=O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(O)=C3C(=O)OCC3=C1C

InChI

InChIKey=VCDAVVIRONUCLX-OTFYJODQSA-N

InChI=1S/C23H30O11/c1-10(5-7-15(25)34-23-20(29)19(28)18(27)14(8-24)33-23)4-6-12-17(26)16-13(9-32-22(16)30)11(2)21(12)31-3/h4,14,18-20,23-24,26-29H,5-9H2,1-3H3/b10-4+/t14-,18-,19+,20-,23+/m1/s1

HIDE SMILES / InChI

Approval Year

Name

Type

Language

Mycophenolic acid acyl-β-D-glucoside

Common Name

English

(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (4E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-4-methylhex-4-enoate

Systematic Name

English

β-D-Glucopyranose, 1-[(4E)-6-(1,3-dihydro-4-hydroxy-6-methoxy-7-methyl-3-oxo-5-isobenzofuranyl)-4-methyl-4-hexenoate]

Systematic Name

English

Mycophenolic acid acyl-b-D-glucoside

Common Name

English

Code System Code Type Description

CAS

344562-78-3

Created by admin on Sat Dec 16 19:55:23 GMT 2023 , Edited by admin on Sat Dec 16 19:55:23 GMT 2023

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FDA UNII

P92WSB5KNB

Created by admin on Sat Dec 16 19:55:23 GMT 2023 , Edited by admin on Sat Dec 16 19:55:23 GMT 2023

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PUBCHEM

71750870

Created by admin on Sat Dec 16 19:55:23 GMT 2023 , Edited by admin on Sat Dec 16 19:55:23 GMT 2023

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SUBSTANCE RECORD


					P92WSB5KNB

Mycophenolic acid acyl-β-D-glucoside