methyl (1S,4aR,5S,6R,6aR,7S,11aS,11bS)-1,5-diacetyloxy-4,4,11b-trimethyl-4a,6-bis(oxidanyl)-2,3,5,6,6a,7,11,11a-octahydro-1H-naphtho[2,1-f][1]benzofuran-7-carboxylate

Systemtic Name: methyl (1S,4aR,5S,6R,6aR,7S,11aS,11bS)-1,5-diacetyloxy-4,4,11b-trimethyl-4a,6-bis(oxidanyl)-2,3,5,6,6a,7,11,11a-octahydro-1H-naphtho[2,1-f][1]benzofuran-7-carboxylate Openeye Name: methyl (1S,4aR,5S,6R,6aR,7S,11aS,11bS)-1,5-diacetoxy-4a,6-dihydroxy-4,4,11b-trimethyl-2,3,5,6,6a,7,11,11a-octahydro-1H-naphtho[2,1-f]benzofuran-7-carboxylate CAS Name: (1S,4aR,5S,6R,6aR,7S,11aS,11bS)-1,5-diacetyloxy-4a,6-dihydroxy-4,4,11b-trimethyl-2,3,5,6,6a,7,11,11a-octahydro-1H-naphtho[2,1-f]benzofuran-7-carboxylic acid methyl ester IUPAC Name: methyl (1S,4aR,5S,6R,6aR,7S,11aS,11bS)-1,5-diacetyloxy-4a,6-dihydroxy-4,4,11b-trimethyl-2,3,5,6,6a,7,11,11a-octahydro-1H-naphtho[2,1-f][1]benzofuran-7-carboxylate Traditional Name: (1S,4aR,5S,6R,6aR,7S,11aS,11bS)-1,5-diacetoxy-4a,6-dihydroxy-4,4,11b-trimethyl-2,3,5,6,6a,7,11,11a-octahydro-1H-naphtho[2,1-f]benzofuran-7-carboxylic acid methyl ester Formula: C25H34O9 MolecularWeight: 478.53206

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1CCC(C2(C1(C3CC4=C(C=CO4)C(C3C(C2OC(=O)C)O)C(=O)OC)C)O)(C)C

Isomeric SMILES

CC(=O)O[C@H]1CCC([C@]2([C@]1([C@H]3CC4=C(C=CO4)[C@H]([C@@H]3[C@H]([C@@H]2OC(=O)C)O)C(=O)OC)C)O)(C)C

InChI

InChI=1S/C25H34O9/c1-12(26)33-17-7-9-23(3,4)25(30)21(34-13(2)27)20(28)19-15(24(17,25)5)11-16-14(8-10-32-16)18(19)22(29)31-6/h8,10,15,17-21,28,30H,7,9,11H2,1-6H3/t15-,17-,18+,19+,20+,21-,24-,25+/m0/s1