2-[(2R,5R)-5-[(1R)-4-[(2S,4aR,6R,8aS)-2-[(2R,5S)-5-bromanyl-2,6,6-trimethyl-oxan-2-yl]-4a-methyl-3,4,6,7,8,8a-hexahydro-2H-pyrano[3,2-b]pyran-6-yl]-1-oxidanyl-pent-4-enyl]-5-methyl-oxolan-2-yl]propan-2-yl ethanoate

Systemtic Name: 2-[(2R,5R)-5-[(1R)-4-[(2S,4aR,6R,8aS)-2-[(2R,5S)-5-bromanyl-2,6,6-trimethyl-oxan-2-yl]-4a-methyl-3,4,6,7,8,8a-hexahydro-2H-pyrano[3,2-b]pyran-6-yl]-1-oxidanyl-pent-4-enyl]-5-methyl-oxolan-2-yl]propan-2-yl ethanoate Openeye Name: [1-[(2R,5R)-5-[(1R)-4-[(2S,4aR,6R,8aS)-2-[(2R,5S)-5-bromo-2,6,6-trimethyl-tetrahydropyran-2-yl]-4a-methyl-3,4,6,7,8,8a-hexahydro-2H-pyrano[3,2-b]pyran-6-yl]-1-hydroxy-pent-4-enyl]-5-methyl-tetrahydrofuran-2-yl]-1-methyl-ethyl] acetate CAS Name: acetic acid 2-[(2R,5R)-5-[(1R)-4-[(2S,4aR,6R,8aS)-2-[(2R,5S)-5-bromo-2,6,6-trimethyl-2-oxanyl]-4a-methyl-3,4,6,7,8,8a-hexahydro-2H-pyrano[3,2-b]pyran-6-yl]-1-hydroxypent-4-enyl]-5-methyl-2-oxolanyl]propan-2-yl ester IUPAC Name: 2-[(2R,5R)-5-[(1R)-4-[(2S,4aR,6R,8aS)-2-[(2R,5S)-5-bromo-2,6,6-trimethyloxan-2-yl]-4a-methyl-3,4,6,7,8,8a-hexahydro-2H-pyrano[3,2-b]pyran-6-yl]-1-hydroxypent-4-enyl]-5-methyloxolan-2-yl]propan-2-yl acetate Traditional Name: acetic acid [1-[(2R,5R)-5-[(1R)-4-[(2S,4aR,6R,8aS)-2-[(2R,5S)-5-bromo-2,6,6-trimethyl-tetrahydropyran-2-yl]-4a-methyl-3,4,6,7,8,8a-hexahydro-2H-pyrano[3,2-b]pyran-6-yl]-1-hydroxy-pent-4-enyl]-5-methyl-tetrahydrofuran-2-yl]-1-methyl-ethyl] ester Formula: C32H53BrO7 MolecularWeight: 629.66302

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(C)(C)C1CCC(O1)(C)C(CCC(=C)C2CCC3C(O2)(CCC(O3)C4(CCC(C(O4)(C)C)Br)C)C)O

Isomeric SMILES

CC(=O)OC(C)(C)[C@H]1CC[C@](O1)(C)[C@@H](CCC(=C)[C@H]2CC[C@H]3[C@](O2)(CC[C@H](O3)[C@]4(CC[C@@H](C(O4)(C)C)Br)C)C)O

InChI

InChI=1S/C32H53BrO7/c1-20(10-12-24(35)30(7)18-15-25(39-30)29(5,6)37-21(2)34)22-11-13-26-31(8,38-22)19-16-27(36-26)32(9)17-14-23(33)28(3,4)40-32/h22-27,35H,1,10-19H2,2-9H3/t22-,23+,24-,25-,26+,27+,30-,31-,32-/m1/s1