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Details

Stereochemistry ABSOLUTE
Molecular Formula C17H22O5
Molecular Weight 306.3536
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 7
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ISOTENULIN

SMILES

[H][C@]12C[C@@H](C)C3C=CC(=O)[C@@]3(C)[C@H](OC(C)=O)[C@]1([H])[C@@H](C)C(=O)O2

InChI

InChIKey=NEIIKBWBBCJSQU-DGIONXRUSA-N
InChI=1S/C17H22O5/c1-8-7-12-14(9(2)16(20)22-12)15(21-10(3)18)17(4)11(8)5-6-13(17)19/h5-6,8-9,11-12,14-15H,7H2,1-4H3/t8-,9-,11?,12+,14-,15-,17+/m1/s1

HIDE SMILES / InChI

Molecular Formula C17H22O5
Molecular Weight 306.3536
Charge 0
Count
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 6 / 7
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 09:27:23 UTC 2023
Edited
by admin
on Sat Dec 16 09:27:23 UTC 2023
Record UNII
MPG8EK9VMN
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ISOTENULIN
Common Name English
NSC-85247
Code English
Azuleno[6,5-b]furan-2,5-dione, 4-(acetyloxy)-3,3a,4,4a,7a,8,9,9a-octahydro-3,4a,8-trimethyl-, (3R,3aR,4R,4aR,7aR,8R,9aS)-
Systematic Name English
Code System Code Type Description
FDA UNII
MPG8EK9VMN
Created by admin on Sat Dec 16 09:27:23 UTC 2023 , Edited by admin on Sat Dec 16 09:27:23 UTC 2023
PRIMARY
CAS
10092-04-3
Created by admin on Sat Dec 16 09:27:23 UTC 2023 , Edited by admin on Sat Dec 16 09:27:23 UTC 2023
PRIMARY
NSC
85247
Created by admin on Sat Dec 16 09:27:23 UTC 2023 , Edited by admin on Sat Dec 16 09:27:23 UTC 2023
PRIMARY
EPA CompTox
DTXSID401318349
Created by admin on Sat Dec 16 09:27:23 UTC 2023 , Edited by admin on Sat Dec 16 09:27:23 UTC 2023
PRIMARY
PUBCHEM
73482
Created by admin on Sat Dec 16 09:27:23 UTC 2023 , Edited by admin on Sat Dec 16 09:27:23 UTC 2023
PRIMARY
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