U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C17H20O6
Molecular Weight 320.3371
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of MYCOPHENOLIC ACID LACTONE, (S)-

SMILES

COC1=C(C)C2=C(C(=O)OC2)C(O)=C1CC[C@@]3(C)CCC(=O)O3

InChI

InChIKey=GNWIDHOJWGSPTK-KRWDZBQOSA-N
InChI=1S/C17H20O6/c1-9-11-8-22-16(20)13(11)14(19)10(15(9)21-3)4-6-17(2)7-5-12(18)23-17/h19H,4-8H2,1-3H3/t17-/m0/s1

HIDE SMILES / InChI

Molecular Formula C17H20O6
Molecular Weight 320.3371
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 08:22:18 GMT 2023
Edited
by admin
on Sat Dec 16 08:22:18 GMT 2023
Record UNII
ZDL6BEU50R
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
MYCOPHENOLIC ACID LACTONE, (S)-
Common Name English
7-HYDROXY-5-METHOXY-4-METHYL-6-(2-(5-METHYL-2-OXO-TETRAHYDROFURAN-5-YL)ETHYL)-3H-ISOBENZOFURAN-1-ONE, (S)-
Systematic Name English
1(3H)-ISOBENZOFURANONE, 7-HYDROXY-5-METHOXY-4-METHYL-6-(2-(TETRAHYDRO-2-METHYL-5-OXO-2-FURANYL)ETHYL)-, (S)-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID70229529
Created by admin on Sat Dec 16 08:22:18 GMT 2023 , Edited by admin on Sat Dec 16 08:22:18 GMT 2023
PRIMARY
CAS
79081-87-1
Created by admin on Sat Dec 16 08:22:18 GMT 2023 , Edited by admin on Sat Dec 16 08:22:18 GMT 2023
PRIMARY
FDA UNII
ZDL6BEU50R
Created by admin on Sat Dec 16 08:22:18 GMT 2023 , Edited by admin on Sat Dec 16 08:22:18 GMT 2023
PRIMARY
PUBCHEM
46782410
Created by admin on Sat Dec 16 08:22:18 GMT 2023 , Edited by admin on Sat Dec 16 08:22:18 GMT 2023
PRIMARY