[(2S,3S,4S,6R)-6-[[(3R,4aS,8R,10aR,10bS)-3-ethenyl-3,4a,7,7,10a-pentamethyl-2,5,6,6a,8,9,10,10b-octahydro-1H-benzo[f]chromen-8-yl]oxy]-4-chloranyl-2-methyl-oxan-3-yl] ethanoate

Systemtic Name: [(2S,3S,4S,6R)-6-[[(3R,4aS,8R,10aR,10bS)-3-ethenyl-3,4a,7,7,10a-pentamethyl-2,5,6,6a,8,9,10,10b-octahydro-1H-benzo[f]chromen-8-yl]oxy]-4-chloranyl-2-methyl-oxan-3-yl] ethanoate Openeye Name: [(2S,3S,4S,6R)-6-[[(3R,4aS,8R,10aR,10bS)-3,4a,7,7,10a-pentamethyl-3-vinyl-2,5,6,6a,8,9,10,10b-octahydro-1H-benzo[f]chromen-8-yl]oxy]-4-chloro-2-methyl-tetrahydropyran-3-yl] acetate CAS Name: acetic acid [(2S,3S,4S,6R)-6-[[(3R,4aS,8R,10aR,10bS)-3-ethenyl-3,4a,7,7,10a-pentamethyl-2,5,6,6a,8,9,10,10b-octahydro-1H-benzo[f][1]benzopyran-8-yl]oxy]-4-chloro-2-methyl-3-oxanyl] ester IUPAC Name: [(2S,3S,4S,6R)-6-[[(3R,4aS,8R,10aR,10bS)-3-ethenyl-3,4a,7,7,10a-pentamethyl-2,5,6,6a,8,9,10,10b-octahydro-1H-benzo[f]chromen-8-yl]oxy]-4-chloro-2-methyloxan-3-yl] acetate Traditional Name: acetic acid [(2S,3S,4S,6R)-6-[[(3R,4aS,8R,10aR,10bS)-3,4a,7,7,10a-pentamethyl-3-vinyl-2,5,6,6a,8,9,10,10b-octahydro-1H-benzo[f]chromen-8-yl]oxy]-4-chloro-2-methyl-tetrahydropyran-3-yl] ester Formula: C28H45ClO5 MolecularWeight: 497.1069

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(CC(O1)OC2CCC3(C(C2(C)C)CCC4(C3CCC(O4)(C)C=C)C)C)Cl)OC(=O)C

Isomeric SMILES

C[C@H]1[C@@H]([C@H](C[C@@H](O1)O[C@@H]2CC[C@]3([C@@H]4CC[C@](O[C@]4(CCC3C2(C)C)C)(C)C=C)C)Cl)OC(=O)C

InChI

InChI=1S/C28H45ClO5/c1-9-26(6)13-10-21-27(7)14-12-22(25(4,5)20(27)11-15-28(21,8)34-26)33-23-16-19(29)24(17(2)31-23)32-18(3)30/h9,17,19-24H,1,10-16H2,2-8H3/t17-,19-,20?,21-,22+,23-,24-,26-,27+,28-/m0/s1