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Details

Stereochemistry ABSOLUTE
Molecular Formula C17H22O5
Molecular Weight 306.3536
Optical Activity ( - )
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PARTHENOLIDE, 9B-ACETOXY-

SMILES

CC(=O)O[C@H]1C[C@@H]2[C@H](OC(=O)C2=C)[C@H]3O[C@]3(C)CC\C=C1/C

InChI

InChIKey=QMKVWBGFFNUWNW-ZUNXVODXSA-N
InChI=1S/C17H22O5/c1-9-6-5-7-17(4)15(22-17)14-12(10(2)16(19)21-14)8-13(9)20-11(3)18/h6,12-15H,2,5,7-8H2,1,3-4H3/b9-6+/t12-,13-,14-,15+,17+/m0/s1

HIDE SMILES / InChI

Molecular Formula C17H22O5
Molecular Weight 306.3536
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Tue Apr 01 19:49:59 GMT 2025
Edited
by admin
on Tue Apr 01 19:49:59 GMT 2025
Record UNII
XT34LF4GGX
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PARTHENOLIDE, 9B-ACETOXY-
Common Name English
NSC-292657
Preferred Name English
NSC-672116
Code English
OXIRENO(9,10)CYCLODECA(1,2-B)FURAN-9(1AH)-ONE, 6-(ACETYLOXY)-2,3,6,7,7A,8,10A,10B-OCTAHYDRO-1A,5-DIMETHYL-8-METHYLENE-, (1AR,4E,6S,7AS,10AS,10BR)-
Systematic Name English
Code System Code Type Description
CAS
55249-44-0
Created by admin on Tue Apr 01 19:49:59 GMT 2025 , Edited by admin on Tue Apr 01 19:49:59 GMT 2025
PRIMARY
NSC
672116
Created by admin on Tue Apr 01 19:49:59 GMT 2025 , Edited by admin on Tue Apr 01 19:49:59 GMT 2025
PRIMARY
PUBCHEM
5906991
Created by admin on Tue Apr 01 19:49:59 GMT 2025 , Edited by admin on Tue Apr 01 19:49:59 GMT 2025
PRIMARY
FDA UNII
XT34LF4GGX
Created by admin on Tue Apr 01 19:49:59 GMT 2025 , Edited by admin on Tue Apr 01 19:49:59 GMT 2025
PRIMARY
NSC
292657
Created by admin on Tue Apr 01 19:49:59 GMT 2025 , Edited by admin on Tue Apr 01 19:49:59 GMT 2025
PRIMARY