[(1S)-1-[(3S,8S,9R,10R,12R,13R,14R,17S)-12-acetyloxy-10,13-dimethyl-3,8,14,17-tetrakis(oxidanyl)-1,2,3,4,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-17-yl]ethyl] (E)-2-methylbut-2-enoate

Systemtic Name: [(1S)-1-[(3S,8S,9R,10R,12R,13R,14R,17S)-12-acetyloxy-10,13-dimethyl-3,8,14,17-tetrakis(oxidanyl)-1,2,3,4,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-17-yl]ethyl] (E)-2-methylbut-2-enoate Openeye Name: [(1S)-1-[(3S,8S,9R,10R,12R,13R,14R,17S)-12-acetoxy-3,8,14,17-tetrahydroxy-10,13-dimethyl-1,2,3,4,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-17-yl]ethyl] (E)-2-methylbut-2-enoate CAS Name: (E)-2-methyl-2-butenoic acid [(1S)-1-[(3S,8S,9R,10R,12R,13R,14R,17S)-12-acetyloxy-3,8,14,17-tetrahydroxy-10,13-dimethyl-1,2,3,4,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-17-yl]ethyl] ester IUPAC Name: [(1S)-1-[(3S,8S,9R,10R,12R,13R,14R,17S)-12-acetyloxy-3,8,14,17-tetrahydroxy-10,13-dimethyl-1,2,3,4,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-17-yl]ethyl] (E)-2-methylbut-2-enoate Traditional Name: (E)-2-methylbut-2-enoic acid [(1S)-1-[(3S,8S,9R,10R,12R,13R,14R,17S)-12-acetoxy-3,8,14,17-tetrahydroxy-10,13-dimethyl-1,2,3,4,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-17-yl]ethyl] ester Formula: C28H42O8 MolecularWeight: 506.62828

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Descriptors Computed from Structure

Canonical SMILES:

CC=C(C)C(=O)OC(C)C1(CCC2(C1(C(CC3C2(CC=C4C3(CCC(C4)O)C)O)OC(=O)C)C)O)O

Isomeric SMILES

C/C=C(\C)/C(=O)O[C@@H](C)[C@@]1(CC[C@]2([C@@]1([C@@H](C[C@H]3[C@]2(CC=C4[C@@]3(CC[C@@H](C4)O)C)O)OC(=O)C)C)O)O

InChI

InChI=1S/C28H42O8/c1-7-16(2)23(31)35-17(3)26(32)12-13-28(34)25(26,6)22(36-18(4)29)15-21-24(5)10-9-20(30)14-19(24)8-11-27(21,28)33/h7-8,17,20-22,30,32-34H,9-15H2,1-6H3/b16-7+/t17-,20-,21+,22+,24-,25+,26+,27-,28+/m0/s1