Pyrrocidine B

cas: 428439-25-2 — see every product listed under this CAS number, including other names

Pyrrocidine B (CAS 428439-25-2) is a chemical reagent available from Chemat. Available pack sizes: Get quote. Offered by: MedChemExpress.

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cas428439-25-2
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Structural formula: {0} (CAS {1})

(3S,5S,7R,9S,10R,13R,14S,16S,19S,27S)-13-ethenyl-19-hydroxy-5,7,9,11-tetramethyl-2-oxa-18-azahexacyclo[19.2.2.13,10.116,19.04,9.014,27]heptacosa-1(24),11,21(25),22-tetraene-15,17-dione (CAS 428439-25-2) is a chemical compound with the molecular formula C31H39NO4 and a molecular weight of 489.6 g/mol. IUPAC name: (3S,5S,7R,9S,10R,13R,14S,16S,19S,27S)-13-ethenyl-19-hydroxy-5,7,9,11-tetramethyl-2-oxa-18-azahexacyclo[19.2.2.13,10.116,19.04,9.014,27]heptacosa-1(24),11,21(25),22-tetraene-15,17-dione. InChIKey: OCUONUXNKYDHKY-APROIJOGSA-N.

Identity
Molecular formulaC31H39NO4
Molecular weight489.6 g/mol
IUPAC name(3S,5S,7R,9S,10R,13R,14S,16S,19S,27S)-13-ethenyl-19-hydroxy-5,7,9,11-tetramethyl-2-oxa-18-azahexacyclo[19.2.2.13,10.116,19.04,9.014,27]heptacosa-1(24),11,21(25),22-tetraene-15,17-dione
InChIKeyOCUONUXNKYDHKY-APROIJOGSA-N
SMILESC[C@@H]1C[C@@H](C2[C@@H]3[C@@H]4[C@H]([C@@H](C=C([C@@H]4[C@@]2(C1)C)C)C=C)C(=O)[C@@H]5C[C@](CC6=CC=C(O3)C=C6)(NC5=O)O)C

Computed by PubChem (NCBI)

Synonyms: orb1991845

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