2-[(1S,2R,4aS,6S,8aS)-2-[(2R,3S,3aR,5'R,6aS)-4-(chloromethyl)-3,5'-dimethyl-spiro[3,3a,6,6a-tetrahydrocyclopenta[b]furan-2,2'-oxane]-5-yl]-6-acetyloxy-8a-methyl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalen-1-yl]ethanoic acid

Systemtic Name: 2-[(1S,2R,4aS,6S,8aS)-2-[(2R,3S,3aR,5'R,6aS)-4-(chloromethyl)-3,5'-dimethyl-spiro[3,3a,6,6a-tetrahydrocyclopenta[b]furan-2,2'-oxane]-5-yl]-6-acetyloxy-8a-methyl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalen-1-yl]ethanoic acid Openeye Name: 2-[(1S,2R,4aS,6S,8aS)-2-[(2R,3S,3aR,5'R,6aS)-4-(chloromethyl)-3,5'-dimethyl-spiro[3,3a,6,6a-tetrahydrocyclopenta[b]furan-2,2'-tetrahydropyran]-5-yl]-6-acetoxy-8a-methyl-decalin-1-yl]acetic acid CAS Name: 2-[(1S,2R,4aS,6S,8aS)-2-[(2R,3S,3aR,5'R,6aS)-4-(chloromethyl)-3,5'-dimethyl-5-spiro[3,3a,6,6a-tetrahydrocyclopenta[b]furan-2,2'-oxane]yl]-6-acetyloxy-8a-methyl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalen-1-yl]acetic acid IUPAC Name: 2-[(1S,2R,4aS,6S,8aS)-2-[(2R,3S,3aR,5'R,6aS)-4-(chloromethyl)-3,5'-dimethylspiro[3,3a,6,6a-tetrahydrocyclopenta[b]furan-2,2'-oxane]-5-yl]-6-acetyloxy-8a-methyl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalen-1-yl]acetic acid Traditional Name: 2-[(1S,2R,4aS,6S,8aS)-2-[(2R,3S,3aR,5'R,6aS)-4-(chloromethyl)-3,5'-dimethyl-spiro[3,3a,6,6a-tetrahydrocyclopenta[b]furan-2,2'-tetrahydropyran]-5-yl]-6-acetoxy-8a-methyl-decalin-1-yl]acetic acid Formula: C29H43ClO6 MolecularWeight: 523.10112

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2(C(C3C(O2)CC(=C3CCl)C4CCC5CC(CCC5(C4CC(=O)O)C)OC(=O)C)C)OC1

Isomeric SMILES

C[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)CC(=C3CCl)[C@@H]4CC[C@H]5C[C@H](CC[C@@]5([C@H]4CC(=O)O)C)OC(=O)C)C)OC1

InChI

InChI=1S/C29H43ClO6/c1-16-7-10-29(34-15-16)17(2)27-23(14-30)22(12-25(27)36-29)21-6-5-19-11-20(35-18(3)31)8-9-28(19,4)24(21)13-26(32)33/h16-17,19-21,24-25,27H,5-15H2,1-4H3,(H,32,33)/t16-,17+,19+,20+,21+,24+,25+,27-,28+,29-/m1/s1