U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C20H26O4
Molecular Weight 330.418
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 9-OXOFURANOPETASIN

SMILES

[H][C@]12C[C@@H](C[C@H](C)[C@@]1(C)CC3=C(OC=C3C)C2=O)OC(=O)C(\C)=C/C

InChI

InChIKey=UVGNAGKHBDTENQ-BWXLUZPGSA-N
InChI=1S/C20H26O4/c1-6-11(2)19(22)24-14-7-13(4)20(5)9-15-12(3)10-23-18(15)17(21)16(20)8-14/h6,10,13-14,16H,7-9H2,1-5H3/b11-6-/t13-,14+,16+,20+/m0/s1

HIDE SMILES / InChI

Molecular Formula C20H26O4
Molecular Weight 330.418
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 10:45:57 GMT 2023
Edited
by admin
on Sat Dec 16 10:45:57 GMT 2023
Record UNII
DS2FZ3J55H
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
9-OXOFURANOPETASIN
Common Name English
(4AR,5S,7R,8AS)-4,4A,5,6,7,8,8A,9-OCTAHYDRO-3,4A,5-TRIMETHYL-9-OXONAPHTHO(2,3-B)FURAN-7-YL (2Z)-2-METHYL-2-BUTENOATE
Systematic Name English
2-BUTENOIC ACID, 2-METHYL-, (4AR,5S,7R,8AS)-4,4A,5,6,7,8,8A,9-OCTAHYDRO-3,4A,5-TRIMETHYL-9-OXONAPHTHO(2,3-B)FURAN-7-YL ESTER, (2Z)-
Systematic Name English
Code System Code Type Description
CAS
928260-99-5
Created by admin on Sat Dec 16 10:45:57 GMT 2023 , Edited by admin on Sat Dec 16 10:45:57 GMT 2023
PRIMARY
PUBCHEM
162368343
Created by admin on Sat Dec 16 10:45:57 GMT 2023 , Edited by admin on Sat Dec 16 10:45:57 GMT 2023
PRIMARY
FDA UNII
DS2FZ3J55H
Created by admin on Sat Dec 16 10:45:57 GMT 2023 , Edited by admin on Sat Dec 16 10:45:57 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> CONSTITUENT ALWAYS PRESENT
Furanopetasin chemovar-Furanoeremophilane