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Molecule record

9-[(E)-4-[(2S,3R,4R,5S)-3,4-dihydroxy-5-[[(2S,3S)-3-[(2S,3S)-3-hydroxybutan-2-yl]oxiran-2-yl]methyl]oxan-2-yl]-3-methylbut-2-enoyl]oxynonanoic acid

C26H44O9

500.63 g/mol

Loading structure

Molecular properties

Formula
C26H44O9
Molar mass
500.63 g·mol−1
Exact mass
500.2985 Da
5
PubChem CID
446596

Functional groups

Alcohol
Alkane / alkyl carbon
Alkene
Carboxylic acid
Ester
Ether

Physical properties

No source-backed physical properties are curated for this molecule yet.

Common names and synonyms

  • 12650-69-0
  • 14C-Labeled Mupirocin
  • BRL 4910A
  • Bactoderm
  • Bactoderm Ointment
  • CHEBI:7025
  • Centany
  • D0GX863OA5
Show all 24 synonyms
  • DTXCID8026438
  • DTXSID0046438
  • MURICIN
  • Mupirocin
  • Mupirocin 2%
  • Mupirocin, 14C Labeled
  • Mupirocina
  • Mupirocine
  • Mupirocinum
  • NSC-759182
  • Pseudomonic acid
  • Pseudomonic acid A
  • RefChem:819613
  • Sx Pre-Op Prep Pouch
  • Turixin
  • trans-Pseudomonic acid

Structure identifiers

Canonical SMILES
C/C(=C\C(=O)OCCCCCCCCC(=O)O)C[C@@H]1OC[C@H](C[C@@H]2O[C@H]2[C@@H](C)[C@H](C)O)[C@@H](O)[C@H]1O
Isomeric SMILES
C[C@H]([C@H]1[C@@H](O1)C[C@H]2CO[C@H]([C@@H]([C@@H]2O)O)C/C(=C/C(=O)OCCCCCCCCC(=O)O)/C)[C@H](C)O
InChI
InChI=1S/C26H44O9/c1-16(13-23(30)33-11-9-7-5-4-6-8-10-22(28)29)12-20-25(32)24(31)19(15-34-20)14-21-26(35-21)17(2)18(3)27/h13,17-21,24-27,31-32H,4-12,14-15H2,1-3H3,(H,28,29)/b16-13+/t17-,18-,19-,20-,21-,24+,25-,26-/m0/s1
InChIKey
MINDHVHHQZYEEK-HBBNESRFSA-N
PubChem CID
446596

Spectroscopy

Tabs appear only for spectra stored with clear provenance.

Open library
No redistributable or simulated spectroscopy record is attached yet.

Simulated NMR

On-demand educational prediction for 9-[(E)-4-[(2S,3R,4R,5S)-3,4-dihydroxy-5-[[(2S,3S)-3-[(2S,3S)-3-hydroxybutan-2-yl]oxiran-2-yl]methyl]oxan-2-yl]-3-methylbut-2-enoyl]oxynonanoic acid; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 9-[(E)-4-[(2S,3R,4R,5S)-3,4-dihydroxy-5-[[(2S,3S)-3-[(2S,3S)-3-hydroxybutan-2-yl]oxiran-2-yl]methyl]oxan-2-yl]-3-methylbut-2-enoyl]oxynonanoic acid; not experimental data.

Sources

Molecule identity

Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.

PubChem(link only)
Open source record