Trabectedine Impurity B

cas: 631920-73-5 — see every product listed under this CAS number, including other names

Trabectedine Impurity B (CAS 631920-73-5) is a chemical reagent available from Chemat. Available pack sizes: 1mg. Offered by: TRC.

brandTRC
catalog numberTRC-T742010-1MG
cas631920-73-5
size1mg
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delivery timeTo be confirmed by Chemat
Structural formula: {0} (CAS {1})

[(1R,2R,3R,11S,12S,14R,26R)-5,6',12-trihydroxy-6,7'-dimethoxy-7,21,30-trimethyl-24,27-dioxospiro[17,19,28-trioxa-24lambda4-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'-3,4-dihydro-2H-isoquinoline]-22-yl] acetate (CAS 631920-73-5) is a chemical compound with the molecular formula C39H43N3O12S and a molecular weight of 777.8 g/mol. IUPAC name: [(1R,2R,3R,11S,12S,14R,26R)-5,6',12-trihydroxy-6,7'-dimethoxy-7,21,30-trimethyl-24,27-dioxospiro[17,19,28-trioxa-24lambda4-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'-3,4-dihydro-2H-isoquinoline]-22-yl] acetate. InChIKey: UXTFBUVODQNPJE-MAKDMNOISA-N.

Identity
Molecular formulaC39H43N3O12S
Molecular weight777.8 g/mol
IUPAC name[(1R,2R,3R,11S,12S,14R,26R)-5,6',12-trihydroxy-6,7'-dimethoxy-7,21,30-trimethyl-24,27-dioxospiro[17,19,28-trioxa-24lambda4-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'-3,4-dihydro-2H-isoquinoline]-22-yl] acetate
InChIKeyUXTFBUVODQNPJE-MAKDMNOISA-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=O)C9=CC(=C(C=C9CCN8)O)OC)OCO7)C)OC(=O)C)C(=C1OC)O

Computed by PubChem (NCBI)

Synonyms: Trabectedine Impurity B

Also listed as

Trabectedin Impurity 4 Chemat Brand CAS 631920-73-5