[(3R,4aR,5S,6S,10S,10aR,10bS)-3-ethenyl-3,4a,7,7,10a-pentamethyl-5,10,10b-tris(oxidanyl)-1-oxidanylidene-5,6,6a,8,9,10-hexahydro-2H-benzo[f]chromen-6-yl] 3-chloranylpropanoate

Systemtic Name: [(3R,4aR,5S,6S,10S,10aR,10bS)-3-ethenyl-3,4a,7,7,10a-pentamethyl-5,10,10b-tris(oxidanyl)-1-oxidanylidene-5,6,6a,8,9,10-hexahydro-2H-benzo[f]chromen-6-yl] 3-chloranylpropanoate Openeye Name: [(3R,4aR,5S,6S,10S,10aR,10bS)-5,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-3-vinyl-5,6,6a,8,9,10-hexahydro-2H-benzo[f]chromen-6-yl] 3-chloropropanoate CAS Name: 3-chloropropanoic acid [(3R,4aR,5S,6S,10S,10aR,10bS)-3-ethenyl-5,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-5,6,6a,8,9,10-hexahydro-2H-benzo[f][1]benzopyran-6-yl] ester IUPAC Name: [(3R,4aR,5S,6S,10S,10aR,10bS)-3-ethenyl-5,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-5,6,6a,8,9,10-hexahydro-2H-benzo[f]chromen-6-yl] 3-chloropropanoate Traditional Name: 3-chloropropionic acid [(3R,4aR,5S,6S,10S,10aR,10bS)-5,10,10b-trihydroxy-1-keto-3,4a,7,7,10a-pentamethyl-3-vinyl-5,6,6a,8,9,10-hexahydro-2H-benzo[f]chromen-6-yl] ester Formula: C23H35ClO7 MolecularWeight: 458.9728

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC(C2(C1C(C(C3(C2(C(=O)CC(O3)(C)C=C)O)C)O)OC(=O)CCCl)C)O)C

Isomeric SMILES

C[C@@]1(CC(=O)[C@@]2([C@]3([C@H](CCC(C3[C@@H]([C@@H]([C@]2(O1)C)O)OC(=O)CCCl)(C)C)O)C)O)C=C

InChI

InChI=1S/C23H35ClO7/c1-7-20(4)12-14(26)23(29)21(5)13(25)8-10-19(2,3)17(21)16(30-15(27)9-11-24)18(28)22(23,6)31-20/h7,13,16-18,25,28-29H,1,8-12H2,2-6H3/t13-,16-,17?,18-,20-,21-,22+,23-/m0/s1