MYCOPHENOLIC ACID 7-O-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 7-O-GLUCOSIDE

Structure Search

SMILES

COC1=C(C)C2=C(C(=O)OC2)C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)=C1C\C=C(/C)CCC(O)=O

InChI

InChIKey=PXWZKGRCFSHAMN-OVUIAQIESA-N

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

HIDE SMILES / InChI

Molecular Formula	C23H30O11
Molecular Weight	482.4777
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	5 / 5
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 16:24:38 GMT 2023` Edited by `admin` on `Fri Dec 15 16:24:38 GMT 2023`
Record UNII	A63Y3157JG
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

MYCOPHENOLIC ACID 7-O-GLUCOSIDE

Common Name

English

MYCOPHENOLIC ACID GLUCOSIDE

Common Name

English

4-HEXENOIC ACID, 6-(4-(.BETA.-D-GLUCOPYRANOSYLOXY)-1,3-DIHYDRO-6-METHOXY-7-METHYL-3-OXO-5-ISOBENZOFURANYL)-4-METHYL-, (4E)-

Common Name

English

6-(4-(.BETA.-D-GLUCOPYRANOSYLOXY)-1,3-DIHYDRO-6-METHOXY-7-METHYL-3-OXO-5-ISOBENZOFURANYL)-4-METHYL-4-HEXENOIC ACID, (4E)-

Common Name

English

Code System Code Type Description

FDA UNII

A63Y3157JG

Created by admin on Fri Dec 15 16:24:38 GMT 2023 , Edited by admin on Fri Dec 15 16:24:38 GMT 2023

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CAS

55533-52-3

Created by admin on Fri Dec 15 16:24:38 GMT 2023 , Edited by admin on Fri Dec 15 16:24:38 GMT 2023

PRIMARY

PUBCHEM

71750874

Created by admin on Fri Dec 15 16:24:38 GMT 2023 , Edited by admin on Fri Dec 15 16:24:38 GMT 2023

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MYCOPHENOLIC ACID

PARENT -> METABOLITE INACTIVE

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