MYCOPHENOLIC ACID GLUCURONIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C23H28O12
Molecular Weight	496.4612
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of MYCOPHENOLIC ACID GLUCURONIDE

Structure Search

SMILES

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

InChI

InChIKey=BYFGTSAYQQIUCN-HGIHDBQLSA-N

InChI=1S/C23H28O12/c1-9(5-7-13(24)25)4-6-11-18(32-3)10(2)12-8-33-22(31)14(12)19(11)34-23-17(28)15(26)16(27)20(35-23)21(29)30/h4,15-17,20,23,26-28H,5-8H2,1-3H3,(H,24,25)(H,29,30)/b9-4+/t15-,16-,17+,20-,23+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C23H28O12
Molecular Weight	496.4612
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 `Mon Mar 31 23:37:56 GMT 2025` Edited by `admin` on `Mon Mar 31 23:37:56 GMT 2025`
Record UNII	54TS5J9T0K
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

MYCOPHENOLIC ACID 7-O-GLUCURONIDE

Preferred Name

English

MYCOPHENOLIC ACID GLUCURONIDE

Common Name

English

MYCOPHENOLIC ACID GLUCOSIDURONATE

Common Name

English

.BETA.-D-GLUCOPYRANOSIDURONIC ACID, 5-((2E)-5-CARBOXY-3-METHYL-2-PENTEN-1-YL)-1,3-DIHYDRO-6-METHOXY-7-METHYL-3-OXO-4-ISOBENZOFURANYL

Systematic Name

English

Code System Code Type Description

PUBCHEM

6442661

Created by admin on Mon Mar 31 23:37:56 GMT 2025 , Edited by admin on Mon Mar 31 23:37:56 GMT 2025

PRIMARY

FDA UNII

54TS5J9T0K

Created by admin on Mon Mar 31 23:37:56 GMT 2025 , Edited by admin on Mon Mar 31 23:37:56 GMT 2025

PRIMARY

CAS

31528-44-6

Created by admin on Mon Mar 31 23:37:56 GMT 2025 , Edited by admin on Mon Mar 31 23:37:56 GMT 2025

PRIMARY

EPA CompTox

DTXSID401043388

Created by admin on Mon Mar 31 23:37:56 GMT 2025 , Edited by admin on Mon Mar 31 23:37:56 GMT 2025

PRIMARY

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MYCOPHENOLIC ACID

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