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Details

Stereochemistry ABSOLUTE
Molecular Formula C41H69NO14
Molecular Weight 799.9849
Optical Activity UNSPECIFIED
Defined Stereocenters 16 / 16
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of LEUCOMYCIN A13

SMILES

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

InChI

InChIKey=CUDHGRIZNLIHBG-TYBIZVFLSA-N
InChI=1S/C41H69NO14/c1-10-11-13-18-31(46)54-39-27(5)52-33(23-41(39,6)49)55-36-26(4)53-40(35(48)34(36)42(7)8)56-37-28(19-20-43)21-24(2)29(44)17-15-12-14-16-25(3)51-32(47)22-30(45)38(37)50-9/h12,14-15,17,20,24-30,33-40,44-45,48-49H,10-11,13,16,18-19,21-23H2,1-9H3/b14-12+,17-15+/t24-,25-,26-,27+,28+,29+,30-,33+,34-,35-,36-,37+,38+,39+,40+,41-/m1/s1

HIDE SMILES / InChI

Molecular Formula C41H69NO14
Molecular Weight 799.9849
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 00:14:54 UTC 2023
Edited
by admin
on Sat Dec 16 00:14:54 UTC 2023
Record UNII
248RTG654T
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
LEUCOMYCIN A13
Common Name English
C14063
Code English
LEUCOMYCIN V, 4B-HEXANOATE
Common Name English
KITASAMYCIN A13
Common Name English
(3R,4R,5S,6R,8R,9R,10E,12E,15R)-5-(4-O-HEXANOYL-2,6-DIDEOXY-3-C-METHYL-.ALPHA.-L-RIBO-HEXOPYRANOSYL-(1->4)-3,6-DIDEOXY-3-DIMETHYLAMINO-.BETA.-D-GLUCOPYRANOSYLOXY)-6-FORMYLMETHYL-3,9-DIHYDROXY-4-METHOXY-8-METHYLHEXADECA-10,12-DIEN-15-OLIDE
Systematic Name English
J1.152E
Code English
LEUCOMYCIN V 4''-HEXANOATE
Common Name English
Code System Code Type Description
FDA UNII
248RTG654T
Created by admin on Sat Dec 16 00:14:54 UTC 2023 , Edited by admin on Sat Dec 16 00:14:54 UTC 2023
PRIMARY
PUBCHEM
11954020
Created by admin on Sat Dec 16 00:14:54 UTC 2023 , Edited by admin on Sat Dec 16 00:14:54 UTC 2023
PRIMARY
CAS
78897-52-6
Created by admin on Sat Dec 16 00:14:54 UTC 2023 , Edited by admin on Sat Dec 16 00:14:54 UTC 2023
PRIMARY
EPA CompTox
DTXSID90474630
Created by admin on Sat Dec 16 00:14:54 UTC 2023 , Edited by admin on Sat Dec 16 00:14:54 UTC 2023
PRIMARY