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Details

Stereochemistry ABSOLUTE
Molecular Formula C54H75NO7
Molecular Weight 850.1758
Optical Activity UNSPECIFIED
Defined Stereocenters 16 / 16
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of A-348441

SMILES

[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C)OCCN(C)C5=CC=C(C=C5)[C@H]6C[C@@]7(C)[C@@]([H])(CC[C@@]7(O)C#CC)[C@]8([H])CCC9=CC(=O)CCC9=C68)[C@H](C)CCC(O)=O

InChI

InChIKey=LEUWECPXLBIBOF-NZWIZOFBSA-N
InChI=1S/C54H75NO7/c1-7-22-54(61)24-21-43-40-15-11-34-27-37(56)14-16-39(34)49(40)41(31-52(43,54)4)33-9-12-36(13-10-33)55(6)25-26-62-38-20-23-51(3)35(28-38)29-46(57)50-44-18-17-42(32(2)8-19-48(59)60)53(44,5)47(58)30-45(50)51/h9-10,12-13,27,32,35,38,40-47,50,57-58,61H,8,11,14-21,23-26,28-31H2,1-6H3,(H,59,60)/t32-,35+,38+,40+,41-,42-,43+,44+,45+,46-,47+,50+,51+,52+,53-,54+/m1/s1

HIDE SMILES / InChI

Approval Year

PubMed