[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[(1S,5R)-4-[(3R)-3-acetyloxybut-1-enylidene]-3,3,5-trimethyl-5-oxidanyl-cyclohexyl]oxy-oxan-2-yl]methyl ethanoate

Systemtic Name: [(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[(1S,5R)-4-[(3R)-3-acetyloxybut-1-enylidene]-3,3,5-trimethyl-5-oxidanyl-cyclohexyl]oxy-oxan-2-yl]methyl ethanoate Openeye Name: [(2R,3R,4S,5R,6R)-3,4,5-triacetoxy-6-[(1S,3R)-4-[(3R)-3-acetoxybut-1-enylidene]-3-hydroxy-3,5,5-trimethyl-cyclohexoxy]tetrahydropyran-2-yl]methyl acetate CAS Name: acetic acid [(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[(1S,3R)-4-[(3R)-3-acetyloxybut-1-enylidene]-3-hydroxy-3,5,5-trimethylcyclohexyl]oxy-2-oxanyl]methyl ester IUPAC Name: [(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[(1S,3R)-4-[(3R)-3-acetyloxybut-1-enylidene]-3-hydroxy-3,5,5-trimethylcyclohexyl]oxyoxan-2-yl]methyl acetate Traditional Name: acetic acid [(2R,3R,4S,5R,6R)-3,4,5-triacetoxy-6-[(1S,3R)-4-[(3R)-3-acetoxybut-1-enylidene]-3-hydroxy-3,5,5-trimethyl-cyclohexoxy]tetrahydropyran-2-yl]methyl ester Formula: C29H42O13 MolecularWeight: 598.63598

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Descriptors Computed from Structure

Canonical SMILES:

CC(C=C=C1C(CC(CC1(C)O)OC2C(C(C(C(O2)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)(C)C)OC(=O)C

Isomeric SMILES

C[C@H](C=C=C1[C@](C[C@H](CC1(C)C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)(C)O)OC(=O)C

InChI

InChI=1S/C29H42O13/c1-15(37-17(3)31)10-11-23-28(7,8)12-21(13-29(23,9)35)41-27-26(40-20(6)34)25(39-19(5)33)24(38-18(4)32)22(42-27)14-36-16(2)30/h10,15,21-22,24-27,35H,12-14H2,1-9H3/t11?,15-,21+,22-,24-,25+,26-,27-,29-/m1/s1