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Details

Stereochemistry RACEMIC
Molecular Formula C12H16O4
Molecular Weight 224.253
Optical Activity ( + / - )
Defined Stereocenters 2 / 2
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of SENKYUNOLIDE H

SMILES

CCC\C=C1/OC(=O)C2=C1CC[C@@H](O)[C@H]2O

InChI

InChIKey=DQNGMIQSXNGHOA-OBEBJBLMSA-N
InChI=1S/C12H16O4/c1-2-3-4-9-7-5-6-8(13)11(14)10(7)12(15)16-9/h4,8,11,13-14H,2-3,5-6H2,1H3/b9-4-/t8-,11-/m1/s1

HIDE SMILES / InChI

Molecular Formula C12H16O4
Molecular Weight 224.253
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 19:06:14 UTC 2023
Edited
by admin
on Sat Dec 16 19:06:14 UTC 2023
Record UNII
56W6M8HQ2G
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SENKYUNOLIDE H
Common Name English
1(3H)-ISOBENZOFURANONE, 3-BUTYLIDENE-4,5,6,7-TETRAHYDRO-6,7-DIHYDROXY-, (3Z,6R,7S)-REL-
Systematic Name English
Code System Code Type Description
FDA UNII
56W6M8HQ2G
Created by admin on Sat Dec 16 19:06:14 UTC 2023 , Edited by admin on Sat Dec 16 19:06:14 UTC 2023
PRIMARY
CAS
94596-27-7
Created by admin on Sat Dec 16 19:06:14 UTC 2023 , Edited by admin on Sat Dec 16 19:06:14 UTC 2023
PRIMARY
PUBCHEM
13965088
Created by admin on Sat Dec 16 19:06:14 UTC 2023 , Edited by admin on Sat Dec 16 19:06:14 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE ACTIVE