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Details

Stereochemistry ABSOLUTE
Molecular Formula C18H23NO6
Molecular Weight 349.3783
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of JACOZINE

SMILES

[H][C@]12CCN3CC=C(COC(=O)[C@](C)(O)C(=C)C[C@@]4(O[C@H]4C)C(=O)O1)[C@]23[H]

InChI

InChIKey=XCEPKQNOWNOSFH-CGPXFRKCSA-N
InChI=1S/C18H23NO6/c1-10-8-18(11(2)25-18)16(21)24-13-5-7-19-6-4-12(14(13)19)9-23-15(20)17(10,3)22/h4,11,13-14,22H,1,5-9H2,2-3H3/t11-,13+,14+,17+,18-/m0/s1

HIDE SMILES / InChI

Molecular Formula C18H23NO6
Molecular Weight 349.3783
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 Fri Dec 15 17:52:20 GMT 2023
Edited
by admin
on Fri Dec 15 17:52:20 GMT 2023
Record UNII
73KAJ7W3HA
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
JACOZINE
Common Name English
SENECIONAN-11,16-DIONE, 13,19-DIDEHYDRO-15,20-EPOXY-15,20-DIHYDRO-12-HYDROXY-, (15.ALPHA.,20S)-
Systematic Name English
SENECIONAN-11,16-DIONE, 13,19-DIDEHYDRO-15,20-EPOXY-15,20-DIHYDRO-12-HYDROXY-, (15ALPHA,20S)-
Systematic Name English
SPIRO((1,6)DIOXACYCLODODECINO(2,3,4-GH)PYRROLIZINE-3(2H),2'-OXIRANE)-2,7(4H)-DIONE, 5,6,9,11,13,14,14A,14B-OCTAHYDRO-6-HYDROXY-3',6-DIMETHYL-5-METHYLENE-, (3S,3'S,6R,14AR,14BR)-
Systematic Name English
Code System Code Type Description
PUBCHEM
119052
Created by admin on Fri Dec 15 17:52:20 GMT 2023 , Edited by admin on Fri Dec 15 17:52:20 GMT 2023
PRIMARY
CAS
5532-23-0
Created by admin on Fri Dec 15 17:52:20 GMT 2023 , Edited by admin on Fri Dec 15 17:52:20 GMT 2023
PRIMARY
FDA UNII
73KAJ7W3HA
Created by admin on Fri Dec 15 17:52:20 GMT 2023 , Edited by admin on Fri Dec 15 17:52:20 GMT 2023
PRIMARY
EPA CompTox
DTXSID00970653
Created by admin on Fri Dec 15 17:52:20 GMT 2023 , Edited by admin on Fri Dec 15 17:52:20 GMT 2023
PRIMARY