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Details

Stereochemistry ABSOLUTE
Molecular Formula C30H21NO9
Molecular Weight 539.489
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 2
Charge 0

SHOW SMILES / InChI
Structure of FREDERICAMYCIN A

SMILES

COC1=CC(=O)C2=C(C1=O)C(O)=C3C(=O)[C@]4(CCC5=CC6=C(C(=O)NC(\C=C\C=C\C)=C6)C(O)=C45)C(=O)C3=C2O

InChI

InChIKey=BZONSJUONOFNNP-MHSJTTIKSA-N
InChI=1S/C30H21NO9/c1-3-4-5-6-14-10-13-9-12-7-8-30(22(12)26(36)17(13)29(39)31-14)27(37)20-21(28(30)38)25(35)19-18(24(20)34)15(32)11-16(40-2)23(19)33/h3-6,9-11,34-36H,7-8H2,1-2H3,(H,31,39)/b4-3+,6-5+/t30-/m0/s1

HIDE SMILES / InChI

Molecular Formula C30H21NO9
Molecular Weight 539.489
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 2
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 09:38:42 UTC 2023
Edited
by admin
on Sat Dec 16 09:38:42 UTC 2023
Record UNII
WSY58QC629
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
FREDERICAMYCIN A
MI  
Common Name English
FDM A
Common Name English
SPIRO(2H-BENZ(F)INDENE-2,8'-(8H)CYCLOPENT(G)ISOQUINOLINE)-1,1',3,5,8(2'H)-PENTONE, 6',7'-DIHYDRO-4,9,9'-TRIHYDROXY-6-METHOXY-3'-(1E,3E)-1,3-PENTADIEN-1-YL-, (2S)-
Systematic Name English
FCRC-A48
Code English
NSC-305263
Code English
FREDERICAMYCIN A [MI]
Common Name English
Code System Code Type Description
PUBCHEM
9937086
Created by admin on Sat Dec 16 09:38:42 UTC 2023 , Edited by admin on Sat Dec 16 09:38:42 UTC 2023
PRIMARY
FDA UNII
WSY58QC629
Created by admin on Sat Dec 16 09:38:42 UTC 2023 , Edited by admin on Sat Dec 16 09:38:42 UTC 2023
PRIMARY
MERCK INDEX
m5566
Created by admin on Sat Dec 16 09:38:42 UTC 2023 , Edited by admin on Sat Dec 16 09:38:42 UTC 2023
PRIMARY Merck Index
EPA CompTox
DTXSID001043900
Created by admin on Sat Dec 16 09:38:42 UTC 2023 , Edited by admin on Sat Dec 16 09:38:42 UTC 2023
PRIMARY
NSC
305263
Created by admin on Sat Dec 16 09:38:42 UTC 2023 , Edited by admin on Sat Dec 16 09:38:42 UTC 2023
PRIMARY
CAS
80455-68-1
Created by admin on Sat Dec 16 09:38:42 UTC 2023 , Edited by admin on Sat Dec 16 09:38:42 UTC 2023
PRIMARY
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