SDOX

cas: 2921601-78-5 — see every product listed under this CAS number, including other names

SDOX (CAS 2921601-78-5) is a chemical reagent available from Chemat. Available pack sizes: Get quote. Offered by: MedChemExpress.

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Structural formula: {0} (CAS {1})

1-O-[2-[2-[2-[[(3R,10R,13R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]ethoxy]ethoxy]ethyl] 4-O-[2-[2-[[(2S,3S,4S,6S)-3-hydroxy-2-methyl-6-[[(1S,3S)-3,5,12-trihydroxy-3-(2-hydroxyacetyl)-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]oxan-4-yl]carbamoyloxy]ethyldisulfanyl]ethyl] butanedioate (CAS 2921601-78-5) is a chemical compound with the molecular formula C69H97NO20S2 and a molecular weight of 1324.6 g/mol. IUPAC name: 1-O-[2-[2-[2-[[(3R,10R,13R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]ethoxy]ethoxy]ethyl] 4-O-[2-[2-[[(2S,3S,4S,6S)-3-hydroxy-2-methyl-6-[[(1S,3S)-3,5,12-trihydroxy-3-(2-hydroxyacetyl)-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]oxan-4-yl]carbamoyloxy]ethyldisulfanyl]ethyl] butanedioate. InChIKey: QPBKORWGSBLEPU-PBAOEZERSA-N.

Identity
Molecular formulaC69H97NO20S2
Molecular weight1324.6 g/mol
IUPAC name1-O-[2-[2-[2-[[(3R,10R,13R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]ethoxy]ethoxy]ethyl] 4-O-[2-[2-[[(2S,3S,4S,6S)-3-hydroxy-2-methyl-6-[[(1S,3S)-3,5,12-trihydroxy-3-(2-hydroxyacetyl)-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]oxan-4-yl]carbamoyloxy]ethyldisulfanyl]ethyl] butanedioate
InChIKeyQPBKORWGSBLEPU-PBAOEZERSA-N
SMILESC[C@H]1[C@H]([C@H](C[C@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)NC(=O)OCCSSCCOC(=O)CCC(=O)OCCOCCOCCO[C@@H]6CC[C@@]7(C8CC[C@@]9([C@H](CCC9C8CC=C7C6)[C@H](C)CCCC(C)C)C)C)O

Computed by PubChem (NCBI)

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