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Details

Stereochemistry ABSOLUTE
Molecular Formula C29H38N2O4
Molecular Weight 478.623
Optical Activity UNSPECIFIED
Defined Stereocenters 9 / 9
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of IKARUGAMYCIN

SMILES

[H][C@@]12CCCNC(=O)\C=C\C[C@@]3([H])[C@@]([H])(C[C@]4([H])[C@@]5([H])C[C@@H](C)[C@@H](CC)[C@]5([H])C=C[C@]34[H])\C=C\C(=O)C(C(=O)N1)=C2O

InChI

InChIKey=WSUGGLXIPUHOSG-VFOHGVHMSA-N
InChI=1S/C29H38N2O4/c1-3-18-16(2)14-22-20(18)10-11-21-19-6-4-8-26(33)30-13-5-7-24-28(34)27(29(35)31-24)25(32)12-9-17(19)15-23(21)22/h4,8-12,16-24,34H,3,5-7,13-15H2,1-2H3,(H,30,33)(H,31,35)/b8-4+,12-9+/t16-,17-,18-,19+,20+,21-,22+,23+,24+/m1/s1

HIDE SMILES / InChI

Molecular Formula C29H38N2O4
Molecular Weight 478.623
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 9 / 9
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 08:46:55 GMT 2023
Edited
by admin
on Sat Dec 16 08:46:55 GMT 2023
Record UNII
9Z5EZV5H4B
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
IKARUGAMYCIN
Common Name English
14,17-Metheno-17H-as-indaceno[3,2-k][1,6]diazacycloheptadecine-9,16,18(1H)-trione, 3-ethyl-2,3,3a,5a,5b,6,10,11,12,13,14,15,20a,21,21a,21b-hexadecahydro-22-hydroxy-2-methyl-, (2R,3R,3aS,5aR,5bS,7Z,14S,19E,20aS,21aR,21bR)-
Systematic Name English
Code System Code Type Description
CAS
36531-78-9
Created by admin on Sat Dec 16 08:46:55 GMT 2023 , Edited by admin on Sat Dec 16 08:46:55 GMT 2023
PRIMARY
FDA UNII
9Z5EZV5H4B
Created by admin on Sat Dec 16 08:46:55 GMT 2023 , Edited by admin on Sat Dec 16 08:46:55 GMT 2023
PRIMARY
EPA CompTox
DTXSID501017235
Created by admin on Sat Dec 16 08:46:55 GMT 2023 , Edited by admin on Sat Dec 16 08:46:55 GMT 2023
PRIMARY
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