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Details

Stereochemistry ABSOLUTE
Molecular Formula C35H60N2O11
Molecular Weight 684.8577
Optical Activity UNSPECIFIED
Defined Stereocenters 13 / 13
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2H-OXACYCLOTETRADECINO(4,3-D)OXAZOLE-2,6,8,14(1H,7H,9H)-TETRONE, 4-ETHYLOCTAHYDRO-1-(4-HYDROXYBUTYL)-11-METHOXY-3A,7,9,11,13,15-HEXAMETHYL-10-((3,4,6-TRIDEOXY-3-(DIMETHYLAMINO)-.BETA.-D-XYLO-HEXOPYRANOSYL)OXY)-, (3AS,4R,7R,9R,10R,11R,13R,15R,15AR)-

SMILES

CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@@](C)(C[C@@H](C)C(=O)[C@H](C)[C@H]3N(CCCCO)C(=O)O[C@]13C)OC

InChI

InChIKey=GFUDYZUOIIIPBM-UGWDLRSTSA-N
InChI=1S/C35H60N2O11/c1-12-25-35(8)29(37(33(43)48-35)15-13-14-16-38)21(4)26(39)19(2)18-34(7,44-11)30(22(5)27(40)23(6)31(42)46-25)47-32-28(41)24(36(9)10)17-20(3)45-32/h19-25,28-30,32,38,41H,12-18H2,1-11H3/t19-,20-,21+,22+,23-,24+,25-,28-,29-,30-,32+,34-,35-/m1/s1

HIDE SMILES / InChI

Molecular Formula C35H60N2O11
Molecular Weight 684.8577
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 13 / 13
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
LXK6TC4HWU
Record Status Validated (UNII)
Record Version