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Details

Stereochemistry ABSOLUTE
Molecular Formula C18H22N2O2
Molecular Weight 298.3795
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of FUMIGACLAVINE A

SMILES

[H][C@@]12CC3=CNC4=CC=CC(=C34)[C@@]1([H])[C@@H](OC(C)=O)[C@H](C)CN2C

InChI

InChIKey=GJSSYQDXZLZOLR-ONUGHKICSA-N
InChI=1S/C18H22N2O2/c1-10-9-20(3)15-7-12-8-19-14-6-4-5-13(16(12)14)17(15)18(10)22-11(2)21/h4-6,8,10,15,17-19H,7,9H2,1-3H3/t10-,15-,17-,18+/m1/s1

HIDE SMILES / InChI

Molecular Formula C18H22N2O2
Molecular Weight 298.3795
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 07:55:56 UTC 2023
Edited
by admin
on Sat Dec 16 07:55:56 UTC 2023
Record UNII
DV9FK5AO1K
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
FUMIGACLAVINE A
Common Name English
ERGOLIN-9-OL, 6,8-DIMETHYL-, 9-ACETATE, (8.ALPHA.,9.BETA.)-
Systematic Name English
ERGOLIN-9-OL, 6,8-DIMETHYL-, ACETATE (ESTER), (8.ALPHA.,9.BETA.)
Systematic Name English
Code System Code Type Description
WIKIPEDIA
Fumigaclavine A
Created by admin on Sat Dec 16 07:55:56 UTC 2023 , Edited by admin on Sat Dec 16 07:55:56 UTC 2023
PRIMARY
PUBCHEM
5324492
Created by admin on Sat Dec 16 07:55:56 UTC 2023 , Edited by admin on Sat Dec 16 07:55:56 UTC 2023
PRIMARY
FDA UNII
DV9FK5AO1K
Created by admin on Sat Dec 16 07:55:56 UTC 2023 , Edited by admin on Sat Dec 16 07:55:56 UTC 2023
PRIMARY
CHEBI
67145
Created by admin on Sat Dec 16 07:55:56 UTC 2023 , Edited by admin on Sat Dec 16 07:55:56 UTC 2023
PRIMARY
CAS
6879-59-0
Created by admin on Sat Dec 16 07:55:56 UTC 2023 , Edited by admin on Sat Dec 16 07:55:56 UTC 2023
PRIMARY
EPA CompTox
DTXSID40988499
Created by admin on Sat Dec 16 07:55:56 UTC 2023 , Edited by admin on Sat Dec 16 07:55:56 UTC 2023
PRIMARY