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Details

Stereochemistry MIXED
Molecular Formula C26H45ClO9
Molecular Weight 537.083
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 8
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 9-(((2E)-4-((2S,3R,4R,5S)-5-(3-CHLORO-2,5-DIHYDROXY-4-METHYLHEXYL)-3,4-DIHYDROXYTETRAHYDRO-2H-PYRAN-2-YL)-3-METHYLBUT-2-ENOYL)OXY)NONANOIC ACID

SMILES

CC(O)C(C)C(Cl)C(O)C[C@H]1CO[C@@H](C\C(C)=C\C(=O)OCCCCCCCCC(O)=O)[C@H](O)[C@@H]1O

InChI

InChIKey=XJXYEEDNRCGGMO-KJOJXFELSA-N
InChI=1S/C26H45ClO9/c1-16(13-23(32)35-11-9-7-5-4-6-8-10-22(30)31)12-21-26(34)25(33)19(15-36-21)14-20(29)24(27)17(2)18(3)28/h13,17-21,24-26,28-29,33-34H,4-12,14-15H2,1-3H3,(H,30,31)/b16-13+/t17?,18?,19-,20?,21-,24?,25+,26-/m0/s1

HIDE SMILES / InChI

Molecular Formula C26H45ClO9
Molecular Weight 537.083
Charge 0
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 4 / 8
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 08:18:35 UTC 2023
Edited
by admin
on Sat Dec 16 08:18:35 UTC 2023
Record UNII
74DOR145FS
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
9-(((2E)-4-((2S,3R,4R,5S)-5-(3-CHLORO-2,5-DIHYDROXY-4-METHYLHEXYL)-3,4-DIHYDROXYTETRAHYDRO-2H-PYRAN-2-YL)-3-METHYLBUT-2-ENOYL)OXY)NONANOIC ACID
Systematic Name English
MUPIROCIN CALCIUM IMPURITY H [EP IMPURITY]
Common Name English
Code System Code Type Description
PUBCHEM
135391012
Created by admin on Sat Dec 16 08:18:35 UTC 2023 , Edited by admin on Sat Dec 16 08:18:35 UTC 2023
PRIMARY
FDA UNII
74DOR145FS
Created by admin on Sat Dec 16 08:18:35 UTC 2023 , Edited by admin on Sat Dec 16 08:18:35 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
UNSPECIFIED
EP