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Details

Stereochemistry ABSOLUTE
Molecular Formula C28H38N2O9
Molecular Weight 546.6093
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 17-O-DEMETHYLGELDANAMYCIN

SMILES

CO[C@H]1C[C@H](C)CC2=C(O)C(=O)C=C(NC(=O)\C(C)=C\C=C[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)C2=O

InChI

InChIKey=KKZJVQQMUCBLHR-LVBRMASUSA-N
InChI=1S/C28H38N2O9/c1-14-10-18-24(33)19(13-20(31)25(18)34)30-27(35)15(2)8-7-9-21(37-5)26(39-28(29)36)17(4)12-16(3)23(32)22(11-14)38-6/h7-9,12-14,16,21-23,26,32,34H,10-11H2,1-6H3,(H2,29,36)(H,30,35)/b9-7-,15-8+,17-12+/t14-,16+,21+,22+,23-,26+/m1/s1

HIDE SMILES / InChI

Molecular Formula C28H38N2O9
Molecular Weight 546.6093
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 6 / 6
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 15:55:38 GMT 2023
Edited
by admin
on Sat Dec 16 15:55:38 GMT 2023
Record UNII
QVM5N55HUK
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
17-O-DEMETHYLGELDANAMYCIN
Common Name English
GELDANAMYCIN, 17-O-DEMETHYL-
Common Name English
17DMG
Common Name English
17-DE-O-METHYLGELDANAMYCIN
Common Name English
NSC-255104
Code English
Code System Code Type Description
FDA UNII
QVM5N55HUK
Created by admin on Sat Dec 16 15:55:38 GMT 2023 , Edited by admin on Sat Dec 16 15:55:38 GMT 2023
PRIMARY
NSC
255104
Created by admin on Sat Dec 16 15:55:38 GMT 2023 , Edited by admin on Sat Dec 16 15:55:38 GMT 2023
PRIMARY
CAS
52762-28-4
Created by admin on Sat Dec 16 15:55:38 GMT 2023 , Edited by admin on Sat Dec 16 15:55:38 GMT 2023
PRIMARY
EPA CompTox
DTXSID20418401
Created by admin on Sat Dec 16 15:55:38 GMT 2023 , Edited by admin on Sat Dec 16 15:55:38 GMT 2023
PRIMARY
Related Record Type Details
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