(1′R,6R,6aR,7R,13S,14R,16R)-5-(Acetyloxy)-3′,4′,6,6a,7,13,14,16-octahydro-6′,8-dihydroxy-7′,9-dimethoxy-4,10,23-trimethyl-19-oxospiro[6,16-(epithiopropanoxymethano)-7,13-imino-12H-1,3-dioxolo[7,8]isoquino[3,2-b][3]benzazocine-20,1′(2′H)-isoquinoline]-14-carbonitrile, 95%, 95%

cas: 114899-80-8 — see every product listed under this CAS number, including other names

(1′R,6R,6aR,7R,13S,14R,16R)-5-(Acetyloxy)-3′,4′,6,6a,7,13,14,16-octahydro-6′,8-dihydroxy-7′,9-dimethoxy-4,10,23-trimethyl-19-oxospiro[6,16-(epithiopropanoxymethano)-7,13-imino-12H-1,3-dioxolo[7,8]isoquino[3,2-b][3]benzazocine-20,1′(2′H)-isoquinoline]-14-carbonitrile, 95%, 95% (CAS 114899-80-8) is a chemical reagent available from Chemat. Available pack sizes: 100mg. Offered by: Chemat.

• 2D
• 3D

[(1R,2R,3R,11S,12R,14R,26R)-12-cyano-5,6'-dihydroxy-6,7'-dimethoxy-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'-3,4-dihydro-2H-isoquinoline]-22-yl] acetate (CAS 114899-80-8) is a chemical compound with the molecular formula C40H42N4O10S and a molecular weight of 770.8 g/mol. IUPAC name: [(1R,2R,3R,11S,12R,14R,26R)-12-cyano-5,6'-dihydroxy-6,7'-dimethoxy-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'-3,4-dihydro-2H-isoquinoline]-22-yl] acetate. InChIKey: BGFXHQYUWCGGLL-QWIBJBKUSA-N.

Identity

Molecular formula	C40H42N4O10S
Molecular weight	770.8 g/mol
IUPAC name	[(1R,2R,3R,11S,12R,14R,26R)-12-cyano-5,6'-dihydroxy-6,7'-dimethoxy-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'-3,4-dihydro-2H-isoquinoline]-22-yl] acetate
InChIKey	BGFXHQYUWCGGLL-QWIBJBKUSA-N
SMILES	CC1=CC2=C([C@@H]3[C@@H]4[C@H]5C6=C(C(=C7C(=C6[C@@H](N4[C@H]([C@H](C2)N3C)C#N)COC(=O)[C@@]8(CS5)C9=CC(=C(C=C9CCN8)O)OC)OCO7)C)OC(=O)C)C(=C1OC)O

Computed by PubChem (NCBI)

Synonyms: Ecteinascidin 770, Ecteinascidin 770, Ecteinascidin770, Trabectedin Impurity 5, orb1709800, BGFXHQYUWCGGLL-QWIBJBKUSA-N