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Details

Stereochemistry ABSOLUTE
Molecular Formula C16H15ClO6
Molecular Weight 338.74
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 6-DESMETHYLGRISEOFULVIN

SMILES

COC1=C2C(=O)[C@]3(OC2=C(Cl)C(O)=C1)[C@H](C)CC(=O)C=C3OC

InChI

InChIKey=SYNGDIBHUPXIQA-QZTNRIJFSA-N
InChI=1S/C16H15ClO6/c1-7-4-8(18)5-11(22-3)16(7)15(20)12-10(21-2)6-9(19)13(17)14(12)23-16/h5-7,19H,4H2,1-3H3/t7-,16+/m1/s1

HIDE SMILES / InChI

Molecular Formula C16H15ClO6
Molecular Weight 338.74
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 18:24:21 GMT 2023
Edited
by admin
on Sat Dec 16 18:24:21 GMT 2023
Record UNII
LLQ6C2G3UT
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
6-DESMETHYLGRISEOFULVIN
Common Name English
1'S,6'R)-7-CHLORO-6-HYDROXY-2',4-DIMETHOXY-6'-METHYLSPIRO(BENZOFURAN-2(3H),1'-(2)CYCLOHEXENE)-3,4'-DIONE
Systematic Name English
SPIRO(BENZOFURAN-2(3H),1'-(2)CYCLOHEXENE)-3,4'-DIONE, 7-CHLORO-6-HYDROXY-2',4-DIMETHOXY-6'-METHYL-, (1'S-TRANS)-
Systematic Name English
SPIRO(BENZOFURAN-2(3H),1'-(2)CYCLOHEXENE)-3,4'-DIONE, 7-CHLORO-6-HYDROXY-2',4-DIMETHOXY-6'-METHYL-, (1'S,6'R)-
Systematic Name English
Code System Code Type Description
FDA UNII
LLQ6C2G3UT
Created by admin on Sat Dec 16 18:24:21 GMT 2023 , Edited by admin on Sat Dec 16 18:24:21 GMT 2023
PRIMARY
PUBCHEM
9974417
Created by admin on Sat Dec 16 18:24:21 GMT 2023 , Edited by admin on Sat Dec 16 18:24:21 GMT 2023
PRIMARY
EPA CompTox
DTXSID30942222
Created by admin on Sat Dec 16 18:24:21 GMT 2023 , Edited by admin on Sat Dec 16 18:24:21 GMT 2023
PRIMARY
CAS
20168-88-1
Created by admin on Sat Dec 16 18:24:21 GMT 2023 , Edited by admin on Sat Dec 16 18:24:21 GMT 2023
PRIMARY