[(1R,2R,3S,4R,4aR,6R,8R,8aR)-2-acetyloxy-8a-(hydroxymethyl)-4-[(3S)-3-(hydroxymethyl)-5-oxidanyl-pentyl]-3,4-dimethyl-6-oxidanyl-spiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-8,2'-oxirane]-1-yl] (E)-2-methylbut-2-enoate

Systemtic Name: [(1R,2R,3S,4R,4aR,6R,8R,8aR)-2-acetyloxy-8a-(hydroxymethyl)-4-[(3S)-3-(hydroxymethyl)-5-oxidanyl-pentyl]-3,4-dimethyl-6-oxidanyl-spiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-8,2'-oxirane]-1-yl] (E)-2-methylbut-2-enoate Openeye Name: [(1R,2R,3S,4R,4aR,6R,8R,8aR)-2-acetoxy-6-hydroxy-4-[(3S)-5-hydroxy-3-(hydroxymethyl)pentyl]-8a-(hydroxymethyl)-3,4-dimethyl-spiro[decalin-8,2'-oxirane]-1-yl] (E)-2-methylbut-2-enoate CAS Name: (E)-2-methyl-2-butenoic acid [(1R,2R,3S,4R,4aR,6R,8R,8aR)-2-acetyloxy-6-hydroxy-4-[(3S)-5-hydroxy-3-(hydroxymethyl)pentyl]-8a-(hydroxymethyl)-3,4-dimethyl-1-spiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-8,2'-oxirane]yl] ester IUPAC Name: [(1R,2R,3S,4R,4aR,6R,8R,8aR)-2-acetyloxy-6-hydroxy-4-[(3S)-5-hydroxy-3-(hydroxymethyl)pentyl]-8a-(hydroxymethyl)-3,4-dimethylspiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-8,2'-oxirane]-1-yl] (E)-2-methylbut-2-enoate Traditional Name: (E)-2-methylbut-2-enoic acid [(1R,2R,3S,4R,4aR,6R,8R,8aR)-2-acetoxy-6-hydroxy-4-[(3S)-5-hydroxy-3-methylol-pentyl]-3,4-dimethyl-8a-methylol-spiro[decalin-8,2'-oxirane]-1-yl] ester Formula: C27H44O9 MolecularWeight: 512.63286

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Descriptors Computed from Structure

Canonical SMILES:

CC=C(C)C(=O)OC1C(C(C(C2C1(C3(CC(C2)O)CO3)CO)(C)CCC(CCO)CO)C)OC(=O)C

Isomeric SMILES

C/C=C(\C)/C(=O)O[C@H]1[C@@H]([C@H]([C@]([C@@H]2[C@@]1([C@]3(C[C@@H](C2)O)CO3)CO)(C)CC[C@@H](CCO)CO)C)OC(=O)C

InChI

InChI=1S/C27H44O9/c1-6-16(2)24(33)36-23-22(35-18(4)31)17(3)25(5,9-7-19(13-29)8-10-28)21-11-20(32)12-26(15-34-26)27(21,23)14-30/h6,17,19-23,28-30,32H,7-15H2,1-5H3/b16-6+/t17-,19+,20-,21-,22-,23+,25+,26+,27+/m1/s1