(1S,4R,5R,6S)-5-acetyloxy-4-[(1S,5S,5bR,6S,10R,10bS)-6,10-diacetyloxy-9-methanoyl-1,5,5b,10b-tetramethyl-1-oxidanyl-2-oxidanylidene-5a,6,7,8,9,9a,10,10a-octahydro-5H-indeno[2,1-e][1]benzofuran-8-yl]-4-methyl-7-oxabicyclo[4.1.0]heptane-3-carboxylic acid

Systemtic Name: (1S,4R,5R,6S)-5-acetyloxy-4-[(1S,5S,5bR,6S,10R,10bS)-6,10-diacetyloxy-9-methanoyl-1,5,5b,10b-tetramethyl-1-oxidanyl-2-oxidanylidene-5a,6,7,8,9,9a,10,10a-octahydro-5H-indeno[2,1-e][1]benzofuran-8-yl]-4-methyl-7-oxabicyclo[4.1.0]heptane-3-carboxylic acid Openeye Name: (1S,4R,5R,6S)-5-acetoxy-4-[(1S,5S,5bR,6S,10R,10bS)-6,10-diacetoxy-9-formyl-1-hydroxy-1,5,5b,10b-tetramethyl-2-oxo-5a,6,7,8,9,9a,10,10a-octahydro-5H-indeno[2,1-e]benzofuran-8-yl]-4-methyl-7-oxabicyclo[4.1.0]heptane-3-carboxylic acid CAS Name: (1S,4R,5R,6S)-5-acetyloxy-4-[(1S,5S,5bR,6S,10R,10bS)-6,10-diacetyloxy-9-formyl-1-hydroxy-1,5,5b,10b-tetramethyl-2-oxo-5a,6,7,8,9,9a,10,10a-octahydro-5H-indeno[2,1-e]benzofuran-8-yl]-4-methyl-7-oxabicyclo[4.1.0]heptane-3-carboxylic acid IUPAC Name: (1S,4R,5R,6S)-5-acetyloxy-4-[(1S,5S,5bR,6S,10R,10bS)-6,10-diacetyloxy-9-formyl-1-hydroxy-1,5,5b,10b-tetramethyl-2-oxo-5a,6,7,8,9,9a,10,10a-octahydro-5H-indeno[2,1-e][1]benzofuran-8-yl]-4-methyl-7-oxabicyclo[4.1.0]heptane-3-carboxylic acid Traditional Name: (1S,4R,5R,6S)-5-acetoxy-4-[(1S,5S,5bR,6S,10R,10bS)-6,10-diacetoxy-9-formyl-1-hydroxy-2-keto-1,5,5b,10b-tetramethyl-5a,6,7,8,9,9a,10,10a-octahydro-5H-indeno[2,1-e]benzofuran-8-yl]-4-methyl-7-oxabicyclo[4.1.0]heptane-3-carboxylic acid Formula: C34H44O13 MolecularWeight: 660.70536

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Descriptors Computed from Structure

Canonical SMILES:

CC1C=C2C(C3C1C4(C(CC(C(C4C3OC(=O)C)C=O)C5(C(CC6C(C5OC(=O)C)O6)C(=O)O)C)OC(=O)C)C)(C(C(=O)O2)(C)O)C

Isomeric SMILES

C[C@@H]1C=C2[C@@](C3C1[C@]4([C@H](CC(C(C4[C@H]3OC(=O)C)C=O)[C@]5([C@H]([C@@H]6[C@@H](O6)CC5C(=O)O)OC(=O)C)C)OC(=O)C)C)([C@](C(=O)O2)(C)O)C

InChI

InChI=1S/C34H44O13/c1-13-9-22-33(7,34(8,42)30(41)47-22)25-23(13)32(6)21(43-14(2)36)11-18(17(12-35)24(32)27(25)44-15(3)37)31(5)19(29(39)40)10-20-26(46-20)28(31)45-16(4)38/h9,12-13,17-21,23-28,42H,10-11H2,1-8H3,(H,39,40)/t13-,17?,18?,19?,20+,21+,23?,24?,25?,26+,27-,28+,31-,32-,33+,34-/m1/s1