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Details

Stereochemistry ABSOLUTE
Molecular Formula C19H21ClO4
Molecular Weight 348.821
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 2
Charge 0

SHOW SMILES / InChI
Structure of DEACETYLSCLEROTIORIN, (-)-

SMILES

CC[C@H](C)\C=C(C)\C=C\C1=CC2=C(Cl)C(=O)[C@@](C)(O)C(=O)C2=CO1

InChI

InChIKey=SBUBEONHXLXYBK-ZFMXKZNFSA-N
InChI=1S/C19H21ClO4/c1-5-11(2)8-12(3)6-7-13-9-14-15(10-24-13)17(21)19(4,23)18(22)16(14)20/h6-11,23H,5H2,1-4H3/b7-6+,12-8+/t11-,19-/m0/s1

HIDE SMILES / InChI

Molecular Formula C19H21ClO4
Molecular Weight 348.821
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 2
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 11:39:29 GMT 2023
Edited
by admin
on Sat Dec 16 11:39:29 GMT 2023
Record UNII
ILV2E985HH
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DEACETYLSCLEROTIORIN, (-)-
Common Name English
6H-2-BENZOPYRAN-6,8(7H)-DIONE, 5-CHLORO-3-(3,5-DIMETHYL-1,3-HEPTADIENYL)-7-HYDROXY-7-METHYL-, (S-(R*,R*-(E,E)))-
Systematic Name English
(-)-DEACETYLSCLEROTIORIN
Common Name English
(7S)-5-CHLORO-3-((1E,3E,5S)-3,5-DIMETHYLHEPTA-1,3-DIENYL)-7-HYDROXY-7-METHYL-ISOCHROMENE-6,8-DIONE
Systematic Name English
Code System Code Type Description
CAS
61248-35-9
Created by admin on Sat Dec 16 11:39:29 GMT 2023 , Edited by admin on Sat Dec 16 11:39:29 GMT 2023
PRIMARY
PUBCHEM
53243889
Created by admin on Sat Dec 16 11:39:29 GMT 2023 , Edited by admin on Sat Dec 16 11:39:29 GMT 2023
PRIMARY
FDA UNII
ILV2E985HH
Created by admin on Sat Dec 16 11:39:29 GMT 2023 , Edited by admin on Sat Dec 16 11:39:29 GMT 2023
PRIMARY