1-[(3S,5S,6S,8S,10S,13S,14S,17S)-10,13-dimethyl-6-[(2R,3R,4S,5S,6R)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3-oxidanyl-2,3,4,5,6,7,8,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone

Systemtic Name: 1-[(3S,5S,6S,8S,10S,13S,14S,17S)-10,13-dimethyl-6-[(2R,3R,4S,5S,6R)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3-oxidanyl-2,3,4,5,6,7,8,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone Openeye Name: 1-[(3S,5S,6S,8S,10S,13S,14S,17S)-3-hydroxy-10,13-dimethyl-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-2,3,4,5,6,7,8,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone CAS Name: 1-[(3S,5S,6S,8S,10S,13S,14S,17S)-3-hydroxy-10,13-dimethyl-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyl-2-oxanyl]oxy]-2,3,4,5,6,7,8,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone IUPAC Name: 1-[(3S,5S,6S,8S,10S,13S,14S,17S)-3-hydroxy-10,13-dimethyl-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,3,4,5,6,7,8,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone Traditional Name: 1-[(3S,5S,6S,8S,10S,13S,14S,17S)-3-hydroxy-10,13-dimethyl-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-2,3,4,5,6,7,8,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone Formula: C27H42O7 MolecularWeight: 478.61818

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(C(O1)OC2CC3C4CCC(C4(CC=C3C5(C2CC(CC5)O)C)C)C(=O)C)O)O)O

Isomeric SMILES

C[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@H]2C[C@H]3[C@@H]4CC[C@@H]([C@]4(CC=C3[C@@]5([C@@H]2C[C@H](CC5)O)C)C)C(=O)C)O)O)O

InChI

InChI=1S/C27H42O7/c1-13(28)17-5-6-18-16-12-21(34-25-24(32)23(31)22(30)14(2)33-25)20-11-15(29)7-9-27(20,4)19(16)8-10-26(17,18)3/h8,14-18,20-25,29-32H,5-7,9-12H2,1-4H3/t14-,15+,16+,17-,18+,20-,21+,22-,23+,24-,25+,26-,27-/m1/s1