(2R)-2-[(1R)-1-[(3R,8R,9S,10R,13R,14R,17S)-3-[(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-10,13-dimethyl-14-oxidanyl-1-oxidanylidene-3,4,7,8,9,11,12,15,16,17-decahydro-2H-cyclopenta[a]phenanthren-17-yl]-1-oxidanyl-ethyl]-4,5-dimethyl-2,3-dihydropyran-6-one

Systemtic Name: (2R)-2-[(1R)-1-[(3R,8R,9S,10R,13R,14R,17S)-3-[(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-10,13-dimethyl-14-oxidanyl-1-oxidanylidene-3,4,7,8,9,11,12,15,16,17-decahydro-2H-cyclopenta[a]phenanthren-17-yl]-1-oxidanyl-ethyl]-4,5-dimethyl-2,3-dihydropyran-6-one Openeye Name: (2R)-2-[(1R)-1-hydroxy-1-[(3R,8R,9S,10R,13R,14R,17S)-14-hydroxy-10,13-dimethyl-1-oxo-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-3,4,7,8,9,11,12,15,16,17-decahydro-2H-cyclopenta[a]phenanthren-17-yl]ethyl]-4,5-dimethyl-2,3-dihydropyran-6-one CAS Name: (2R)-2-[(1R)-1-hydroxy-1-[(3R,8R,9S,10R,13R,14R,17S)-14-hydroxy-10,13-dimethyl-1-oxo-3-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-3,4,7,8,9,11,12,15,16,17-decahydro-2H-cyclopenta[a]phenanthren-17-yl]ethyl]-4,5-dimethyl-2,3-dihydropyran-6-one IUPAC Name: (2R)-2-[(1R)-1-hydroxy-1-[(3R,8R,9S,10R,13R,14R,17S)-14-hydroxy-10,13-dimethyl-1-oxo-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4,7,8,9,11,12,15,16,17-decahydro-2H-cyclopenta[a]phenanthren-17-yl]ethyl]-4,5-dimethyl-2,3-dihydropyran-6-one Traditional Name: (2R)-2-[(1R)-1-hydroxy-1-[(3R,8R,9S,10R,13R,14R,17S)-14-hydroxy-1-keto-10,13-dimethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-3,4,7,8,9,11,12,15,16,17-decahydro-2H-cyclopenta[a]phenanthren-17-yl]ethyl]-4,5-dimethyl-2,3-dihydropyran-6-one Formula: C34H50O11 MolecularWeight: 634.7542

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC(C1)C(C)(C2CCC3(C2(CCC4C3CC=C5C4(C(=O)CC(C5)OC6C(C(C(C(O6)CO)O)O)O)C)C)O)O)C

Isomeric SMILES

CC1=C(C(=O)O[C@H](C1)[C@@](C)([C@H]2CC[C@@]3([C@@]2(CC[C@H]4[C@H]3CC=C5[C@@]4(C(=O)C[C@@H](C5)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)C)C)O)O)C

InChI

InChI=1S/C34H50O11/c1-16-12-25(45-29(40)17(16)2)33(5,41)23-9-11-34(42)21-7-6-18-13-19(43-30-28(39)27(38)26(37)22(15-35)44-30)14-24(36)32(18,4)20(21)8-10-31(23,34)3/h6,19-23,25-28,30,35,37-39,41-42H,7-15H2,1-5H3/t19-,20+,21-,22-,23+,25-,26-,27+,28-,30-,31-,32+,33-,34-/m1/s1