Sodium 9-[(E)-4-[(2R,3S,4aS,7S,8S,8aR)-3,8-dihydroxy-2-[(2S,3S)-3-hydroxybutan-2-yl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyran-7-yl]-3-methylbut-2-enoyl]oxynonanoate

Details

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

SHOW SMILES / InChI

Structure of Sodium 9-[(E)-4-[(2R,3S,4aS,7S,8S,8aR)-3,8-dihydroxy-2-[(2S,3S)-3-hydroxybutan-2-yl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyran-7-yl]-3-methylbut-2-enoyl]oxynonanoate

Structure Search

SMILES

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

InChI

InChIKey=XZMQVUOWANJXDT-WENNQWSDSA-M

InChI=1S/C26H44O9.Na/c1-16(13-23(31)33-11-9-7-5-4-6-8-10-22(29)30)12-21-24(32)26-19(15-34-21)14-20(28)25(35-26)17(2)18(3)27;/h13,17-21,24-28,32H,4-12,14-15H2,1-3H3,(H,29,30);/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	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	8 / 8
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 17:45:42 GMT 2025` Edited by `admin` on `Wed Apr 02 17:45:42 GMT 2025`
Record UNII	DHD6GS3G48
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Sodium 9-[(E)-4-[(2R,3S,4aS,7S,8S,8aR)-3,8-dihydroxy-2-[(2S,3S)-3-hydroxybutan-2-yl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyran-7-yl]-3-methylbut-2-enoyl]oxynonanoate

Systematic Name

English

2H,5H-Pyrano[4,3-b]pyranyl Mupirocin Sodium Impurity

Preferred Name

English

Nonanoic acid, 9-[[4-[hexahydro-3,8-dihydroxy-2-(2-hydroxy-1-methylpropyl)-2H,5H-pyrano[4,3-b]pyran-7-yl]-3-methyl-1-oxo-2-butenyl]oxy]-, monosodium salt, [2R-[2?(1S*,2S*),3?,4a?,7?(E),8?,8a?]]-

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID70635388

Created by admin on Wed Apr 02 17:45:42 GMT 2025 , Edited by admin on Wed Apr 02 17:45:42 GMT 2025

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PUBCHEM

23662788

Created by admin on Wed Apr 02 17:45:42 GMT 2025 , Edited by admin on Wed Apr 02 17:45:42 GMT 2025

PRIMARY

CAS

116182-44-6

Created by admin on Wed Apr 02 17:45:42 GMT 2025 , Edited by admin on Wed Apr 02 17:45:42 GMT 2025

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FDA UNII

DHD6GS3G48

Created by admin on Wed Apr 02 17:45:42 GMT 2025 , Edited by admin on Wed Apr 02 17:45:42 GMT 2025

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Related Record Type Details


					W3F3R97750

9-(((2E)-4-((2R,3RS,4AS,7S,8S,8AR)-3,8-DIHYDROXY-2-((1S,2S)-2-HYDROXY-1-METHYLPROPYL)HEXAHYDRO-2H,5H-PYRANO(4,3-B)PYRAN-7-YL)-3-METHYLBUT-2-ENOYL)OXY)NONANOIC ACID

PARENT -> SALT/SOLVATE

Amount: