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Details

Stereochemistry ABSOLUTE
Molecular Formula C35H59NO14
Molecular Weight 717.8413
Optical Activity UNSPECIFIED
Defined Stereocenters 16 / 17
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of LEUCOMYCIN V, 14-HYDROXY-

SMILES

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

InChI

InChIKey=URVKZKODJLSXLR-GVGKRHNZSA-N
InChI=1S/C35H59NO14/c1-18-15-22(13-14-37)31(32(45-8)25(40)16-26(41)46-19(2)24(39)12-10-9-11-23(18)38)50-34-29(42)28(36(6)7)30(20(3)48-34)49-27-17-35(5,44)33(43)21(4)47-27/h9-12,14,18-25,27-34,38-40,42-44H,13,15-17H2,1-8H3/b11-9+,12-10+/t18-,19-,20-,21+,22+,23+,24?,25-,27+,28-,29-,30-,31+,32+,33+,34+,35-/m1/s1

HIDE SMILES / InChI

Molecular Formula C35H59NO14
Molecular Weight 717.8413
Charge 0
Count
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 16 / 17
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 18:26:52 GMT 2023
Edited
by admin
on Sat Dec 16 18:26:52 GMT 2023
Record UNII
3MC67JY2A7
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
LEUCOMYCIN V, 14-HYDROXY-
Common Name English
2-((4R,5S,6S,7R,9R,10R,11E,13E,16R)-6-((2S,3R,4R,5S,6R)-5-((2S,4R,5S,6S)-4,5-DIHYDROXY-4,6-DIMETHYL-TETRAHYDROPYRAN-2-YL)OXY-4-(DIMETHYLAMINO)-3-HYDROXY-6-METHYL-TETRAHYDROPYRAN-2-YL)OXY-4,10,15-TRIHYDROXY-5-METHOXY-9,16-DIMETHYL-2-OXO-1-OXACYCLOHEXADECA
Systematic Name English
Code System Code Type Description
PUBCHEM
155928964
Created by admin on Sat Dec 16 18:26:52 GMT 2023 , Edited by admin on Sat Dec 16 18:26:52 GMT 2023
PRIMARY
FDA UNII
3MC67JY2A7
Created by admin on Sat Dec 16 18:26:52 GMT 2023 , Edited by admin on Sat Dec 16 18:26:52 GMT 2023
PRIMARY
CAS
94722-72-2
Created by admin on Sat Dec 16 18:26:52 GMT 2023 , Edited by admin on Sat Dec 16 18:26:52 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE