N-[1-[3-[6-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)-2-sulfanyl-oxan-2-yl]hexoxy]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethyl]ethanamide

Systemtic Name: N-[1-[3-[6-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)-2-sulfanyl-oxan-2-yl]hexoxy]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethyl]ethanamide Openeye Name: N-[1-[10,13-dimethyl-3-[6-[3,4,5-trihydroxy-6-(hydroxymethyl)-2-sulfanyl-tetrahydropyran-2-yl]hexoxy]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethyl]acetamide CAS Name: N-[1-[10,13-dimethyl-3-[6-[3,4,5-trihydroxy-6-(hydroxymethyl)-2-mercapto-2-oxanyl]hexoxy]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethyl]acetamide IUPAC Name: N-[1-[10,13-dimethyl-3-[6-[3,4,5-trihydroxy-6-(hydroxymethyl)-2-sulfanyloxan-2-yl]hexoxy]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethyl]acetamide Traditional Name: N-[1-[10,13-dimethyl-3-[6-(3,4,5-trihydroxy-2-mercapto-6-methylol-tetrahydropyran-2-yl)hexoxy]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethyl]acetamide Formula: C35H59NO7S MolecularWeight: 637.91046

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OCCCCCCC5(C(C(C(C(O5)CO)O)O)O)S)C)C)NC(=O)C

Isomeric SMILES

CC(C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OCCCCCCC5(C(C(C(C(O5)CO)O)O)O)S)C)C)NC(=O)C

InChI

InChI=1S/C35H59NO7S/c1-21(36-22(2)38)26-11-12-27-25-10-9-23-19-24(13-16-33(23,3)28(25)14-17-34(26,27)4)42-18-8-6-5-7-15-35(44)32(41)31(40)30(39)29(20-37)43-35/h9,21,24-32,37,39-41,44H,5-8,10-20H2,1-4H3,(H,36,38)