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Details

Stereochemistry ABSOLUTE
Molecular Formula C18H25NO6
Molecular Weight 351.3942
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of GRANTALINE

SMILES

CC1(C)O[C@]2(C)[C@@H]1C(=O)O[C@@H]3CCN4CC=C(COC(=O)[C@]2(C)O)[C@H]34

InChI

InChIKey=JPUZGSKXUFRIIX-XIKLWUPQSA-N
InChI=1S/C18H25NO6/c1-16(2)13-14(20)24-11-6-8-19-7-5-10(12(11)19)9-23-15(21)17(3,22)18(13,4)25-16/h5,11-13,22H,6-9H2,1-4H3/t11-,12-,13-,17+,18-/m1/s1

HIDE SMILES / InChI

Molecular Formula C18H25NO6
Molecular Weight 351.3942
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 Mon Mar 31 23:20:24 GMT 2025
Edited
by admin
on Mon Mar 31 23:20:24 GMT 2025
Record UNII
FT4Y4JG3BR
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
GRANTALINE
Common Name English
8H,11H-OXETO(2',3':9,10)(1,6)DIOXACYCLOUNDECINO(2,3,4-GH)PYRROLIZINE-8,12(9H)-DIONE, 1,2,4,6,9A,11A,13A,13B-OCTAHYDRO-, (9R,9AR,11AR,13AR,13BR)-
Preferred Name English
CROTALANAN-11,15-DIONE, 13,19-EPOXY-14,19-DIHYDRO-12-HYDROXY-19-METHYL-, (13.ALPHA.,14.ALPHA.)-
Systematic Name English
Code System Code Type Description
CAS
83482-61-5
Created by admin on Mon Mar 31 23:20:24 GMT 2025 , Edited by admin on Mon Mar 31 23:20:24 GMT 2025
PRIMARY
FDA UNII
FT4Y4JG3BR
Created by admin on Mon Mar 31 23:20:24 GMT 2025 , Edited by admin on Mon Mar 31 23:20:24 GMT 2025
PRIMARY
PUBCHEM
119025712
Created by admin on Mon Mar 31 23:20:24 GMT 2025 , Edited by admin on Mon Mar 31 23:20:24 GMT 2025
PRIMARY