[(4R,4aR,5S,7R,8S,8aR)-5-acetyloxy-4-(hydroxymethyl)-7,8-dimethyl-4-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)-5-acetyloxy-4-(hydroxymethyl)-7,8-dimethyl-4-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)-4-acetoxy-5-hydroxy-5-(hydroxymethyl)-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)-5-acetyloxy-4-hydroxy-4-(hydroxymethyl)-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)-5-acetyloxy-4-hydroxy-4-(hydroxymethyl)-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)-4-acetoxy-5-hydroxy-1-[2-(5-keto-2H-furan-2-yl)ethyl]-1,2-dimethyl-5-methylol-decalin-4a-yl]methyl ester Formula: C27H40O8 MolecularWeight: 492.6017

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Descriptors Computed from Structure

Canonical SMILES:

CC=C(C)C(=O)OCC12C(CCCC1(CO)O)C(C(CC2OC(=O)C)C)(C)CCC3C=CC(=O)O3

Isomeric SMILES

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

InChI

InChI=1S/C27H40O8/c1-6-17(2)24(31)33-16-27-21(8-7-12-26(27,32)15-28)25(5,13-11-20-9-10-23(30)35-20)18(3)14-22(27)34-19(4)29/h6,9-10,18,20-22,28,32H,7-8,11-16H2,1-5H3/b17-6+/t18-,20?,21-,22+,25+,26+,27+/m1/s1