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Details

Stereochemistry ABSOLUTE
Molecular Formula C11H16O3
Molecular Weight 196.2429
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of LOLIOLIDE

SMILES

C[C@@]12C[C@@H](O)CC(C)(C)C1=CC(=O)O2

InChI

InChIKey=XEVQXKKKAVVSMW-WRWORJQWSA-N
InChI=1S/C11H16O3/c1-10(2)5-7(12)6-11(3)8(10)4-9(13)14-11/h4,7,12H,5-6H2,1-3H3/t7-,11+/m0/s1

HIDE SMILES / InChI

Molecular Formula C11H16O3
Molecular Weight 196.2429
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 Fri Dec 15 21:50:33 UTC 2023
Edited
by admin
on Fri Dec 15 21:50:33 UTC 2023
Record UNII
U3BB4IM281
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
LOLIOLIDE
Common Name English
CALENDIN
Common Name English
LOLIOLID
Common Name English
2(4H)-BENZOFURANONE, 5,6,7,7A-TETRAHYDRO-6-HYDROXY-4,4,7A-TRIMETHYL-, (6S,7AR)-
Common Name English
CAULILIDE
Common Name English
LOLIOLIDE, (-)-
Common Name English
(6S,7AR)-LOLIOLIDE
Common Name English
2(4H)-BENZOFURANONE, 5,6,7,7A-TETRAHYDRO-6.BETA.-HYDROXY-4,4,7A.BETA.-TRIMETHYL-
Common Name English
(-)-LOLIOLIDE
Common Name English
DIGIPROLACTONE
Common Name English
1,3-DIHYDROXY-3,5,5-TRIMETHYLCYCLOHEXYLIDENE-4-ACETIC ACID LACTONE
Common Name English
NSC-289632
Code English
2(4H)-BENZOFURANONE, 5,6,7,7A-TETRAHYDRO-6-HYDROXY-4,4,7A-TRIMETHYL-, (6S-CIS)-
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID50101911
Created by admin on Fri Dec 15 21:50:33 UTC 2023 , Edited by admin on Fri Dec 15 21:50:33 UTC 2023
PRIMARY
FDA UNII
U3BB4IM281
Created by admin on Fri Dec 15 21:50:33 UTC 2023 , Edited by admin on Fri Dec 15 21:50:33 UTC 2023
PRIMARY
NSC
289632
Created by admin on Fri Dec 15 21:50:33 UTC 2023 , Edited by admin on Fri Dec 15 21:50:33 UTC 2023
PRIMARY
PUBCHEM
100332
Created by admin on Fri Dec 15 21:50:33 UTC 2023 , Edited by admin on Fri Dec 15 21:50:33 UTC 2023
PRIMARY
CAS
5989-02-6
Created by admin on Fri Dec 15 21:50:33 UTC 2023 , Edited by admin on Fri Dec 15 21:50:33 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> CONSTITUENT ALWAYS PRESENT
1,1-Diphenyl-2-picrylhydrazyl radical scavenging assay(DPPH) IC50 expressed as ug/mL = >40, In vitro hydroxyl radical scavenging assay(Hydroxy Radical) IC50 expressed as ug/mL = >5.