U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C43H59N2O12.Na
Molecular Weight 818.9245
Optical Activity UNSPECIFIED
Defined Stereocenters 11 / 11
E/Z Centers 7
Charge 0

SHOW SMILES / InChI
Structure of MOCIMYCIN SODIUM

SMILES

[Na+].CC[C@H](C(=O)NC\C=C\C=C(/C)[C@@H](OC)C(C)[C@@H]1O[C@H](\C=C\C=C\C=C(/C)C(=O)C2=C([O-])C=CNC2=O)[C@H](O)[C@@H]1O)[C@@]3(O)O[C@@H](\C=C\C=C/C)C(C)(C)[C@@H](O)[C@H]3O

InChI

InChIKey=ZOYOPUDQXPJARV-GAMAPSDWSA-M
InChI=1S/C43H60N2O12.Na/c1-9-11-13-21-31-42(6,7)38(50)39(51)43(54,57-31)28(10-2)40(52)44-23-17-16-19-26(4)36(55-8)27(5)37-35(49)34(48)30(56-37)20-15-12-14-18-25(3)33(47)32-29(46)22-24-45-41(32)53;/h9,11-22,24,27-28,30-31,34-39,48-51,54H,10,23H2,1-8H3,(H,44,52)(H2,45,46,53);/q;+1/p-1/b11-9-,14-12+,17-16+,20-15+,21-13+,25-18+,26-19+;/t27-,28-,30-,31+,34+,35+,36-,37+,38+,39-,43-;/m1./s1

HIDE SMILES / InChI

Approval Year

Name Type Language
MOCIMYCIN SODIUM
Common Name English
MOCIMYCIN, SODIUM SALT
Common Name English
Code System Code Type Description
CAS
53152-67-3
Created by admin on Sat Dec 16 10:17:45 UTC 2023 , Edited by admin on Sat Dec 16 10:17:45 UTC 2023
PRIMARY
PUBCHEM
23678357
Created by admin on Sat Dec 16 10:17:45 UTC 2023 , Edited by admin on Sat Dec 16 10:17:45 UTC 2023
PRIMARY
FDA UNII
0KSO632QIJ
Created by admin on Sat Dec 16 10:17:45 UTC 2023 , Edited by admin on Sat Dec 16 10:17:45 UTC 2023
PRIMARY