Cereulide solution

cas: 157232-64-9 — see every product listed under this CAS number, including other names

Cereulide solution (CAS 157232-64-9) is a chemical reagent available from Chemat. Available pack sizes: 0.5ML. Offered by: Sigma-Aldrich.

brandSigma-Aldrich
catalog number38708-0.5ML
cas157232-64-9
size0.5ML
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Available pack sizes

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Sigma-Aldrich 0.5ML 1699.00 Pln
Structural formula: {0} (CAS {1})

(3R,6R,9S,12S,15R,18R,21S,24S,27R,30R,33S,36S)-3,15,27-trimethyl-6,18,30-tris(2-methylpropyl)-9,12,21,24,33,36-hexa(propan-2-yl)-1,7,13,19,25,31-hexaoxa-4,10,16,22,28,34-hexazacyclohexatriacontane-2,5,8,11,14,17,20,23,26,29,32,35-dodecone (CAS 157232-64-9) is a chemical compound with the molecular formula C57H96N6O18 and a molecular weight of 1153.4 g/mol. IUPAC name: (3R,6R,9S,12S,15R,18R,21S,24S,27R,30R,33S,36S)-3,15,27-trimethyl-6,18,30-tris(2-methylpropyl)-9,12,21,24,33,36-hexa(propan-2-yl)-1,7,13,19,25,31-hexaoxa-4,10,16,22,28,34-hexazacyclohexatriacontane-2,5,8,11,14,17,20,23,26,29,32,35-dodecone. InChIKey: JWWAHGUHYLWQCQ-UHZBFKKDSA-N.

Identity
Molecular formulaC57H96N6O18
Molecular weight1153.4 g/mol
IUPAC name(3R,6R,9S,12S,15R,18R,21S,24S,27R,30R,33S,36S)-3,15,27-trimethyl-6,18,30-tris(2-methylpropyl)-9,12,21,24,33,36-hexa(propan-2-yl)-1,7,13,19,25,31-hexaoxa-4,10,16,22,28,34-hexazacyclohexatriacontane-2,5,8,11,14,17,20,23,26,29,32,35-dodecone
InChIKeyJWWAHGUHYLWQCQ-UHZBFKKDSA-N
SMILESC[C@@H]1C(=O)O[C@H](C(=O)N[C@H](C(=O)O[C@@H](C(=O)N[C@@H](C(=O)O[C@H](C(=O)N[C@H](C(=O)O[C@@H](C(=O)N[C@@H](C(=O)O[C@H](C(=O)N[C@H](C(=O)O[C@@H](C(=O)N1)CC(C)C)C(C)C)C(C)C)C)CC(C)C)C(C)C)C(C)C)C)CC(C)C)C(C)C)C(C)C

Computed by PubChem (NCBI)

Synonyms: Cereulide, cyclo(Leu-Ala-Val-Val)3, cyclo(D-O-Leu-D-Ala-L-O-Val-L-Val)3, Valinomicin Impurity 2, orb2563626, Natural product from Bacillus cereus
Related forms of this compound
(3R,6R,9S,12S,15R,18R,21S,24S,27R,30R,33S,36S)-3,15,27-tri((113C)methyl)-6,18,30-tris(2-methylpropyl)-9,12,21,24,33,36-hexa(propan-2-yl)-1,7,13,19,25,31-hexaoxa-4,10,16,22,28,34-hexazacyclohexatriacontane-2,5,8,11,14,17,20,23,26,29,32,35-dodecone C57H96N6O18

Also listed as

Cereulide GLPBio CAS 157232-64-9
Cereulide, 10 µg/ml in Methanol, ISO 17034 CRM HPC Standards CAS 157232-64-9
Cooked rice (Cereulide toxin) Sigma-Aldrich CAS 157232-64-9