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Details

Stereochemistry MIXED
Molecular Formula C26H43O9.Na
Molecular Weight 522.604
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 8
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of Sodium 9-{[(2E)-4-[(2R,3aS,6S,7S,7aR)-2-[(1S,2S,3S)-1,3-dihydroxy-2-methylbutyl]-7-hydroxy-hexahydro-2H-furo[3,2-c]pyran-6-yl]-3-methylbut-2-enoyl]oxy}nonanoate

SMILES

[Na+].[H][C@@]12C[C@@H](OC1[C@@H](O)[C@H](C\C(C)=C\C(=O)OCCCCCCCCC([O-])=O)OC2)C(O)[C@@H](C)[C@H](C)O

InChI

InChIKey=WGWNMOGICRTCLI-QKSOIFRQSA-M
InChI=1S/C26H44O9.Na/c1-16(13-23(30)33-11-9-7-5-4-6-8-10-22(28)29)12-20-25(32)26-19(15-34-20)14-21(35-26)24(31)17(2)18(3)27;/h13,17-21,24-27,31-32H,4-12,14-15H2,1-3H3,(H,28,29);/q;+1/p-1/b16-13+;/t17-,18-,19-,20-,21+,24?,25-,26?;/m0./s1

HIDE SMILES / InChI

Approval Year

Name Type Language
Sodium 9-{[(2E)-4-[(2R,3aS,6S,7S,7aR)-2-[(1S,2S,3S)-1,3-dihydroxy-2-methylbutyl]-7-hydroxy-hexahydro-2H-furo[3,2-c]pyran-6-yl]-3-methylbut-2-enoyl]oxy}nonanoate
Systematic Name English
4H-Furo[2,3-c]pyranyl Mupirocin Sodium Impurity
Common Name English
Nonanoic acid, 9-[[4-[2-(1,3-dihydroxy-2-methylbutyl)hexahydro-7-hydroxy-4H-furo[3,2-c]pyran-6-yl]-3-methyl-1-oxo-2-butenyl]oxy]-, monosodium salt, [2R-[2α(1S*,2S*,3S*),3aβ,6α(E),7β,7aα]]-
Systematic Name English
Code System Code Type Description
FDA UNII
PK98CF4MMT
Created by admin on Sat Dec 16 19:58:28 GMT 2023 , Edited by admin on Sat Dec 16 19:58:28 GMT 2023
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CAS
116182-43-5
Created by admin on Sat Dec 16 19:58:28 GMT 2023 , Edited by admin on Sat Dec 16 19:58:28 GMT 2023
PRIMARY