[(4R,4aR,5S,7R,8S,8aR)-4-(bromomethyl)-7,8-dimethyl-4,5-bis(oxidanyl)-8-[2-(5-oxidanylidene-2H-furan-2-yl)ethyl]-2,3,5,6,7,8a-hexahydro-1H-naphthalen-4a-yl]methyl (E)-2-methylbut-2-enoate

Systemtic Name: [(4R,4aR,5S,7R,8S,8aR)-4-(bromomethyl)-7,8-dimethyl-4,5-bis(oxidanyl)-8-[2-(5-oxidanylidene-2H-furan-2-yl)ethyl]-2,3,5,6,7,8a-hexahydro-1H-naphthalen-4a-yl]methyl (E)-2-methylbut-2-enoate Openeye Name: [(1S,2R,4S,4aR,5R,8aR)-5-(bromomethyl)-4,5-dihydroxy-1,2-dimethyl-1-[2-(5-oxo-2H-furan-2-yl)ethyl]decalin-4a-yl]methyl (E)-2-methylbut-2-enoate CAS Name: (E)-2-methyl-2-butenoic acid [(4R,4aR,5S,7R,8S,8aR)-4-(bromomethyl)-4,5-dihydroxy-7,8-dimethyl-8-[2-(5-oxo-2H-furan-2-yl)ethyl]-2,3,5,6,7,8a-hexahydro-1H-naphthalen-4a-yl]methyl ester IUPAC Name: [(4R,4aR,5S,7R,8S,8aR)-4-(bromomethyl)-4,5-dihydroxy-7,8-dimethyl-8-[2-(5-oxo-2H-furan-2-yl)ethyl]-2,3,5,6,7,8a-hexahydro-1H-naphthalen-4a-yl]methyl (E)-2-methylbut-2-enoate Traditional Name: (E)-2-methylbut-2-enoic acid [(1S,2R,4S,4aR,5R,8aR)-5-(bromomethyl)-4,5-dihydroxy-1-[2-(5-keto-2H-furan-2-yl)ethyl]-1,2-dimethyl-decalin-4a-yl]methyl ester Formula: C25H37BrO6 MolecularWeight: 513.46168

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Descriptors Computed from Structure

Canonical SMILES:

CC=C(C)C(=O)OCC12C(CCCC1(CBr)O)C(C(CC2O)C)(C)CCC3C=CC(=O)O3

Isomeric SMILES

C/C=C(\C)/C(=O)OC[C@@]12[C@H](CCC[C@@]1(CBr)O)[C@@]([C@@H](C[C@@H]2O)C)(C)CCC3C=CC(=O)O3

InChI

InChI=1S/C25H37BrO6/c1-5-16(2)22(29)31-15-25-19(7-6-11-24(25,30)14-26)23(4,17(3)13-20(25)27)12-10-18-8-9-21(28)32-18/h5,8-9,17-20,27,30H,6-7,10-15H2,1-4H3/b16-5+/t17-,18?,19-,20+,23+,24+,25+/m1/s1