[11-acetyloxy-10-(hydroxymethyl)-13-methyl-1,5,14-tris(oxidanyl)-17-(5-oxidanylidene-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ethanoate

Systemtic Name: [11-acetyloxy-10-(hydroxymethyl)-13-methyl-1,5,14-tris(oxidanyl)-17-(5-oxidanylidene-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ethanoate Openeye Name: [11-acetoxy-1,5,14-trihydroxy-10-(hydroxymethyl)-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate CAS Name: acetic acid [11-acetyloxy-1,5,14-trihydroxy-10-(hydroxymethyl)-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester IUPAC Name: [11-acetyloxy-1,5,14-trihydroxy-10-(hydroxymethyl)-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate Traditional Name: acetic acid [11-acetoxy-1,5,14-trihydroxy-17-(5-keto-2H-furan-3-yl)-13-methyl-10-methylol-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester Formula: C27H38O10 MolecularWeight: 522.58462

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1CC(C2(C3C(CCC2(C1)O)C4(CCC(C4(CC3OC(=O)C)C)C5=CC(=O)OC5)O)CO)O

Isomeric SMILES

CC(=O)OC1CC(C2(C3C(CCC2(C1)O)C4(CCC(C4(CC3OC(=O)C)C)C5=CC(=O)OC5)O)CO)O

InChI

InChI=1S/C27H38O10/c1-14(29)36-17-9-21(31)26(13-28)23-19(4-6-25(26,33)10-17)27(34)7-5-18(16-8-22(32)35-12-16)24(27,3)11-20(23)37-15(2)30/h8,17-21,23,28,31,33-34H,4-7,9-13H2,1-3H3