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Details

Stereochemistry ABSOLUTE
Molecular Formula C18H23NO4
Molecular Weight 317.3795
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of KESSELRINGINE

SMILES

[H][C@@]12CC[C@]34CC[C@@H](O)[C@@](C3)(OC)OC5=C4C1=C(CCN2)C=C5O

InChI

InChIKey=LEFDMAOTHOSJAA-MBUVNVKMSA-N
InChI=1S/C18H23NO4/c1-22-18-9-17(6-3-13(18)21)5-2-11-14-10(4-7-19-11)8-12(20)16(23-18)15(14)17/h8,11,13,19-21H,2-7,9H2,1H3/t11-,13-,17+,18+/m1/s1

HIDE SMILES / InChI

Molecular Formula C18H23NO4
Molecular Weight 317.3795
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 00:32:40 GMT 2023
Edited
by admin
on Sat Dec 16 00:32:40 GMT 2023
Record UNII
E941TI35EP
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
KESSELRINGINE
Common Name English
KESSELRINGIN
Common Name English
2,5A-METHANO-5AH-1-BENZOXOCINO(8,7,6-DEF)QUINOLINE-3,12-DIOL, 2,3,4,5,6,7,7A,8,9,10-DECAHYDRO-2-METHOXY-8-METHYL-, (2S,3R,5AS,7AR)-
Common Name English
(7S,8R,10AS,12AR)-7-METHOXY-1,2,3,7,8,9,10,11,12,12A-DECAHYDRO-7,10A-METHANOOXOCINO(4',3',2':4,5)NAPHTHO(1,8-BC)PYRIDINE-5,8-DIOL
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID90969990
Created by admin on Sat Dec 16 00:32:40 GMT 2023 , Edited by admin on Sat Dec 16 00:32:40 GMT 2023
PRIMARY
CAS
54692-48-7
Created by admin on Sat Dec 16 00:32:40 GMT 2023 , Edited by admin on Sat Dec 16 00:32:40 GMT 2023
PRIMARY
FDA UNII
E941TI35EP
Created by admin on Sat Dec 16 00:32:40 GMT 2023 , Edited by admin on Sat Dec 16 00:32:40 GMT 2023
PRIMARY
PUBCHEM
76967674
Created by admin on Sat Dec 16 00:32:40 GMT 2023 , Edited by admin on Sat Dec 16 00:32:40 GMT 2023
PRIMARY