Ecubectedin

cas: 2248127-53-7 — see every product listed under this CAS number, including other names

Ecubectedin (CAS 2248127-53-7) is a chemical reagent available from Chemat. Available pack sizes: 1mg, 5mg. Offered by: GLPBio.

brandGLPBio
catalog numberGC70825-1
cas2248127-53-7
size1mg
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Available pack sizes

brand size price
GLPBio 1mg 7641.19 Pln
GLPBio 5mg 16164.38 Pln

properties

purityNo data
delivery timeTo be confirmed by Chemat
Structural formula: {0} (CAS {1})

[(1R,2R,3R,3'S,11S,12S,14R,26R)-5,12-dihydroxy-3'-(hydroxymethyl)-6-methoxy-7,21,30-trimethyl-27-oxospiro[17,19,28-trioxa-24-thia-13,30-diazaheptacyclo[12.9.6.13,11.02,13.04,9.015,23.016,20]triaconta-4(9),5,7,15,20,22-hexaene-26,1'-2,3,4,9-tetrahydropyrido[3,4-b]indole]-22-yl] acetate (CAS 2248127-53-7) is a chemical compound with the molecular formula C41H44N4O10S and a molecular weight of 784.9 g/mol. IUPAC name: [(1R,2R,3R,3'S,11S,12S,14R,26R)-5,12-dihydroxy-3'-(hydroxymethyl)-6-methoxy-7,21,30-trimethyl-27-oxospiro[17,19,28-trioxa-24-thia-13,30-diazaheptacyclo[12.9.6.13,11.02,13.04,9.015,23.016,20]triaconta-4(9),5,7,15,20,22-hexaene-26,1'-2,3,4,9-tetrahydropyrido[3,4-b]indole]-22-yl] acetate. InChIKey: PVXBRBBFWHHDFS-DJQPDYNTSA-N.

Identity
Molecular formulaC41H44N4O10S
Molecular weight784.9 g/mol
IUPAC name[(1R,2R,3R,3'S,11S,12S,14R,26R)-5,12-dihydroxy-3'-(hydroxymethyl)-6-methoxy-7,21,30-trimethyl-27-oxospiro[17,19,28-trioxa-24-thia-13,30-diazaheptacyclo[12.9.6.13,11.02,13.04,9.015,23.016,20]triaconta-4(9),5,7,15,20,22-hexaene-26,1'-2,3,4,9-tetrahydropyrido[3,4-b]indole]-22-yl] acetate
InChIKeyPVXBRBBFWHHDFS-DJQPDYNTSA-N
SMILESCC1=CC2=C([C@@H]3[C@@H]4[C@H]5C6=C(C(=C7C(=C6[C@@H](N4[C@H]([C@H](C2)N3C)O)COC(=O)[C@@]8(CS5)C9=C(C[C@H](N8)CO)C2=CC=CC=C2N9)OCO7)C)OC(=O)C)C(=C1OC)O

Computed by PubChem (NCBI)

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