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Details

Stereochemistry ABSOLUTE
Molecular Formula C15H18O4
Molecular Weight 262.301
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of GROSHEIMIN

SMILES

[H][C@]12[C@H](C)C(=O)C[C@@]1([H])C(=C)C[C@H](O)[C@@H]3[C@@H]2OC(=O)C3=C

InChI

InChIKey=YGMIBVIKXJJQQJ-MSOSQAFRSA-N
InChI=1S/C15H18O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h7,9,11-14,17H,1,3-5H2,2H3/t7-,9+,11+,12+,13-,14-/m1/s1

HIDE SMILES / InChI

Molecular Formula C15H18O4
Molecular Weight 262.301
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 6
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Thu Jul 06 16:18:43 UTC 2023
Edited
by admin
on Thu Jul 06 16:18:43 UTC 2023
Record UNII
ML3SLU81RH
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
GROSHEIMIN
Common Name English
GROSSHEMIN
Common Name English
4.BETA.H-GUAIA-10(14),11(13)-DIEN-12-OIC ACID, 6.ALPHA.,8.ALPHA.-DIHYDROXY-3-OXO-, 12,6-LACTONE
Systematic Name English
AZULENO(4,5-B)FURAN-2,8(3H,4H)-DIONE, OCTAHYDRO-4-HYDROXY-9-METHYL-3,6-BIS(METHYLENE)-, (3AR,4S,6AR,9S,9AR,9BR)-
Systematic Name English
NSC-295425
Code English
Code System Code Type Description
CAS
22489-66-3
Created by admin on Thu Jul 06 16:18:43 UTC 2023 , Edited by admin on Thu Jul 06 16:18:43 UTC 2023
PRIMARY
PUBCHEM
442256
Created by admin on Thu Jul 06 16:18:43 UTC 2023 , Edited by admin on Thu Jul 06 16:18:43 UTC 2023
PRIMARY
NSC
295425
Created by admin on Thu Jul 06 16:18:43 UTC 2023 , Edited by admin on Thu Jul 06 16:18:43 UTC 2023
PRIMARY
FDA UNII
ML3SLU81RH
Created by admin on Thu Jul 06 16:18:43 UTC 2023 , Edited by admin on Thu Jul 06 16:18:43 UTC 2023
PRIMARY
EPA CompTox
DTXSID60945165
Created by admin on Thu Jul 06 16:18:43 UTC 2023 , Edited by admin on Thu Jul 06 16:18:43 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> CONSTITUENT ALWAYS PRESENT