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

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

Structure Search

SMILES

[Na+].C[C@H](O)[C@H](C)C(O)[C@H]1C[C@H]2CO[C@@H](C\C(C)=C\C(=O)OCCCCCCCCC([O-])=O)[C@H](O)C2O1

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

Molecular Formula	Na
Molecular Weight	22.98976928
Charge	1
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C26H43O9
Molecular Weight	499.6142
Charge	-1
Count

Stereochemistry	MIXED
Additional Stereochemistry	No
Defined Stereocenters	6 / 8
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 17:55:52 GMT 2025` Edited by `admin` on `Wed Apr 02 17:55:52 GMT 2025`
Record UNII	PK98CF4MMT
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

4H-Furo[2,3-c]pyranyl Mupirocin Sodium Impurity

Preferred Name

English

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

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-[2?(1S*,2S*,3S*),3a?,6?(E),7?,7a?]]-

Systematic Name

English

Code System Code Type Description

FDA UNII

PK98CF4MMT

Created by admin on Wed Apr 02 17:55:52 GMT 2025 , Edited by admin on Wed Apr 02 17:55:52 GMT 2025

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EPA CompTox

DTXSID00747842

Created by admin on Wed Apr 02 17:55:52 GMT 2025 , Edited by admin on Wed Apr 02 17:55:52 GMT 2025

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CAS

116182-43-5

Created by admin on Wed Apr 02 17:55:52 GMT 2025 , Edited by admin on Wed Apr 02 17:55:52 GMT 2025

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PUBCHEM

169490808

Created by admin on Wed Apr 02 17:55:52 GMT 2025 , Edited by admin on Wed Apr 02 17:55:52 GMT 2025

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Related Record Type Details


					IR6520UV0B

9-(((2E)-4-((2R,3AS,6S,7S)-2-((2S,3S)-1,3-DIHYDROXY-2-METHYLBUTYL)-7-HYDROXYHEXAHYDRO-4H-FURO(3,2-C)PYRAN-6-YL)-3-METHYLBUT-2-ENOYL)OXY)NONANOIC ACID

PARENT -> SALT/SOLVATE

Amount: