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Details

Stereochemistry ABSOLUTE
Molecular Formula C45H71NO17
Molecular Weight 898.0417
Optical Activity UNSPECIFIED
Defined Stereocenters 16 / 16
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of LEUCOMYCIN A4 ACETATE

SMILES

[H][C@@]2(O[C@H]1[C@@H](CC=O)C[C@@H](C)[C@@H](OC(C)=O)\C=C\C=C\C[C@@H](C)OC(=O)C[C@@H](OC(C)=O)[C@@H]1OC)O[C@H](C)[C@@]([H])(O[C@H]3C[C@@](C)(O)[C@@H](OC(=O)CCC)[C@H](C)O3)[C@@H]([C@H]2OC(C)=O)N(C)C

InChI

InChIKey=HRUCVTBGGOHZOO-FITRZQGRSA-N
InChI=1S/C45H71NO17/c1-13-17-35(51)61-43-28(5)56-37(24-45(43,9)53)62-39-27(4)57-44(42(60-31(8)50)38(39)46(10)11)63-40-32(20-21-47)22-25(2)33(58-29(6)48)19-16-14-15-18-26(3)55-36(52)23-34(41(40)54-12)59-30(7)49/h14-16,19,21,25-28,32-34,37-44,53H,13,17-18,20,22-24H2,1-12H3/b15-14+,19-16+/t25-,26-,27-,28+,32+,33+,34-,37+,38+,39-,40+,41+,42-,43+,44+,45-/m1/s1

HIDE SMILES / InChI

Molecular Formula C45H71NO17
Molecular Weight 898.0417
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 16 / 16
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 09:27:11 GMT 2023
Edited
by admin
on Sat Dec 16 09:27:11 GMT 2023
Record UNII
HWQ710J6ZZ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
LEUCOMYCIN A4 ACETATE
Common Name English
LEUCOMYCIN A5, TRIACETATE (ESTER)
Common Name English
2',3,9-TRI-O-ACETYL-LM-A5
Common Name English
KITASAMYCIN A5 ACETATE
Common Name English
LEUCOMYCIN V, 2(SUP A),3,9-TRIACETATE 4(SUP B)-BUTANOATE
Common Name English
KITASAMYCIN A4 ACETATE
Common Name English
(4R,5S,6S,7R,9R,10R,11E,13E,16R)-6-(((2S,3R,4S,5S,6R)-3-ACETOXY-5-(((2S,4R,5S,6S)-5-(BUTYRYLOXY)-4-HYDROXY-4,6-DIMETHYLTETRAHYDRO-2H-PYRAN-2-YL)OXY)-4-(DIMETHYLAMINO)-6-METHYLTETRAHYDRO-2H-PYRAN-2-YL)OXY)-5-METHOXY-9,16-DIMETHYL-2-OXO-7-(2-OXOETHYL)OXACY
Systematic Name English
(3R,4R,5S,6R,8R,9R,10E,12E,15R)-3,9-DIACETOXY-5-(4-O-BUTANOYL-2,6-DIDEOXY-3-C-METHYL-.ALPHA.-L-RIBO-HEXOPYRANOSYL-(1->4)-2-O-ACETYL-3,6-DIDEOXY-3-DIMETHYLAMINO-.BETA.-D-GLUCOPYRANOSYLOXY)-6-FORMYLMETHYL-4-METHOXY-8-METHYLHEXADECA-10,12-DIEN-15-OLIDE
Systematic Name English
LEUCOMYCIN A5 ACETATE
Common Name English
Code System Code Type Description
FDA UNII
HWQ710J6ZZ
Created by admin on Sat Dec 16 09:27:11 GMT 2023 , Edited by admin on Sat Dec 16 09:27:11 GMT 2023
PRIMARY
PUBCHEM
90671885
Created by admin on Sat Dec 16 09:27:11 GMT 2023 , Edited by admin on Sat Dec 16 09:27:11 GMT 2023
PRIMARY
CAS
22924-73-8
Created by admin on Sat Dec 16 09:27:11 GMT 2023 , Edited by admin on Sat Dec 16 09:27:11 GMT 2023
PRIMARY