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Details

Stereochemistry ABSOLUTE
Molecular Formula C51H74O19
Molecular Weight 991.1219
Optical Activity UNSPECIFIED
Defined Stereocenters 21 / 21
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PENGITOXIN

SMILES

C[C@H]1O[C@H](C[C@H](OC(C)=O)[C@@H]1O[C@H]2C[C@H](OC(C)=O)[C@H](O[C@H]3C[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](C)O3)[C@@H](C)O2)O[C@H]4CC[C@@]5(C)[C@H](CC[C@@H]6[C@@H]5CC[C@]7(C)[C@H]([C@H](C[C@]67O)OC(C)=O)C8=CC(=O)OC8)C4

InChI

InChIKey=JDYLJSDIEBHXPO-ALNZGLKXSA-N
InChI=1S/C51H74O19/c1-24-46(67-31(8)56)37(63-27(4)52)20-43(61-24)69-48-26(3)62-44(21-39(48)65-29(6)54)70-47-25(2)60-42(19-38(47)64-28(5)53)68-34-13-15-49(9)33(18-34)11-12-36-35(49)14-16-50(10)45(32-17-41(57)59-23-32)40(66-30(7)55)22-51(36,50)58/h17,24-26,33-40,42-48,58H,11-16,18-23H2,1-10H3/t24-,25-,26-,33-,34+,35+,36-,37+,38+,39+,40+,42+,43+,44+,45+,46-,47-,48-,49+,50-,51+/m1/s1

HIDE SMILES / InChI

Description

Pengitoxin is a cardioactive glycoside. It shortens systolic time intervals. it has been used in the treatment of congestive heart failure.

Approval Year