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Details

Stereochemistry EPIMERIC
Molecular Formula C53H85NO20
Molecular Weight 1056.2367
Optical Activity UNSPECIFIED
Defined Stereocenters 22 / 23
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of NYSTATIN A3

SMILES

[H][C@]12C[C@@]([H])(O[C@@H]3O[C@H](C)[C@@H](O)[C@H](N)[C@@H]3O)\C=C\C=C\C=C\C=C\CC\C=C\C=C\[C@H](C)[C@@H](OC4C[C@@H](O)[C@@H](O)[C@H](C)O4)[C@@H](C)[C@H](C)OC(=O)C[C@H](O)C[C@H](O)C[C@H](O)CC[C@@H](O)[C@H](O)C[C@](O)(C[C@H](O)[C@H]1C(O)=O)O2

InChI

InChIKey=IKYMLQOHQLVORI-PLAPNZKPSA-N
InChI=1S/C53H85NO20/c1-29-18-16-14-12-10-8-6-7-9-11-13-15-17-19-37(72-52-49(65)46(54)48(64)33(5)71-52)25-42-45(51(66)67)41(61)28-53(68,74-42)27-40(60)38(58)21-20-34(55)22-35(56)23-36(57)24-43(62)69-31(3)30(2)50(29)73-44-26-39(59)47(63)32(4)70-44/h6-7,9,11-19,29-42,44-50,52,55-61,63-65,68H,8,10,20-28,54H2,1-5H3,(H,66,67)/b7-6+,11-9+,14-12+,15-13+,18-16+,19-17+/t29-,30-,31-,32-,33+,34+,35+,36+,37-,38+,39+,40+,41-,42-,44?,45+,46-,47-,48+,49-,50+,52-,53+/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
NYSTATIN A3
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C514
Created by admin on Fri Dec 15 16:30:05 GMT 2023 , Edited by admin on Fri Dec 15 16:30:05 GMT 2023
Code System Code Type Description
NCI_THESAURUS
C75989
Created by admin on Fri Dec 15 16:30:05 GMT 2023 , Edited by admin on Fri Dec 15 16:30:05 GMT 2023
PRIMARY
EPA CompTox
DTXSID80212205
Created by admin on Fri Dec 15 16:30:05 GMT 2023 , Edited by admin on Fri Dec 15 16:30:05 GMT 2023
PRIMARY
FDA UNII
ZGT9EY838C
Created by admin on Fri Dec 15 16:30:05 GMT 2023 , Edited by admin on Fri Dec 15 16:30:05 GMT 2023
PRIMARY
CAS
62997-67-5
Created by admin on Fri Dec 15 16:30:05 GMT 2023 , Edited by admin on Fri Dec 15 16:30:05 GMT 2023
PRIMARY
PUBCHEM
11953998
Created by admin on Fri Dec 15 16:30:05 GMT 2023 , Edited by admin on Fri Dec 15 16:30:05 GMT 2023
PRIMARY