methyl (3S,5R,8S,9R,10S,13S,14R)-3-ethanoyloxy-4,4,8,12,13,16-hexamethyl-17-oxidanyl-15-oxidanylidene-10-(oxidanylidenemethyl)-2,3,5,6,7,9-hexahydro-1H-cyclopenta[a]phenanthrene-14-carboxylate

Systemtic Name: methyl (3S,5R,8S,9R,10S,13S,14R)-3-ethanoyloxy-4,4,8,12,13,16-hexamethyl-17-oxidanyl-15-oxidanylidene-10-(oxidanylidenemethyl)-2,3,5,6,7,9-hexahydro-1H-cyclopenta[a]phenanthrene-14-carboxylate Openeye Name: methyl (3S,5R,8S,9R,10S,13S,14R)-3-acetyloxy-17-hydroxy-4,4,8,12,13,16-hexamethyl-15-oxo-10-(oxomethyl)-2,3,5,6,7,9-hexahydro-1H-cyclopenta[a]phenanthrene-14-carboxylate CAS Name: (3S,5R,8S,9R,10S,13S,14R)-17-hydroxy-4,4,8,12,13,16-hexamethyl-15-oxo-3-(1-oxoethoxy)-10-(oxomethyl)-2,3,5,6,7,9-hexahydro-1H-cyclopenta[a]phenanthrene-14-carboxylic acid methyl ester IUPAC Name: methyl (3S,5R,8S,9R,10S,13S,14R)-3-acetyloxy-17-hydroxy-4,4,8,12,13,16-hexamethyl-15-oxo-10-(oxomethyl)-2,3,5,6,7,9-hexahydro-1H-cyclopenta[a]phenanthrene-14-carboxylate Traditional Name: (3S,5R,8S,9R,10S,13S,14R)-3-acetyloxy-17-hydroxy-15-keto-10-(ketomethyl)-4,4,8,12,13,16-hexamethyl-2,3,5,6,7,9-hexahydro-1H-cyclopenta[a]phenanthrene-14-carboxylic acid methyl ester Formula: C28H38O7 MolecularWeight: 508.435526

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2C(CCC3C2(CCC(C3(C)C)OC(=O)C)C=O)(C4(C1(C(=C(C4=O)C)O)C)C(=O)OC)C

Isomeric SMILES

C[13C]1=[13CH][13C@H]2[C@@]3([13CH2][13CH2][13C@@H]([13C]([13C@H]3[13CH2][13CH2][13C@@]2([13C@]4([13C@@]1(C(=[13C]([13C]4=O)C)O)[13CH3])C(=O)OC)[13CH3])([13CH3])[13CH3])O[13C](=O)[13CH3])[13CH]=O

InChI

InChI=1S/C28H38O7/c1-15-13-19-25(6,28(23(33)34-8)22(32)16(2)21(31)26(15,28)7)11-9-18-24(4,5)20(35-17(3)30)10-12-27(18,19)14-29/h13-14,18-20,31H,9-12H2,1-8H3/t18-,19-,20+,25+,26+,27+,28-/m1/s1/i3+1,4+1,5+1,6+1,7+1,9+1,10+1,11+1,12+1,13+1,14+1,15+1,16+1,17+1,18+1,19+1,20+1,22+1,24+1,25+1,26+1,28+1