[(4R,4aR,5R,5'S,6S,7S,8S,8aS)-6-acetyloxy-4-(chloromethyl)-5'-(furan-3-yl)-7-methyl-4,5-bis(oxidanyl)-2'-oxidanylidene-spiro[2,3,5,6,7,8a-hexahydro-1H-naphthalene-8,3'-oxolane]-4a-yl]methyl ethanoate

Systemtic Name: [(4R,4aR,5R,5'S,6S,7S,8S,8aS)-6-acetyloxy-4-(chloromethyl)-5'-(furan-3-yl)-7-methyl-4,5-bis(oxidanyl)-2'-oxidanylidene-spiro[2,3,5,6,7,8a-hexahydro-1H-naphthalene-8,3'-oxolane]-4a-yl]methyl ethanoate Openeye Name: [(1S,2S,3S,4R,4aR,5R,5'S,8aS)-3-acetoxy-5-(chloromethyl)-5'-(3-furyl)-4,5-dihydroxy-2-methyl-2'-oxo-spiro[decalin-1,3'-tetrahydrofuran]-4a-yl]methyl acetate CAS Name: acetic acid [(4R,4aR,5R,5'S,6S,7S,8S,8aS)-6-acetyloxy-4-(chloromethyl)-5'-(3-furanyl)-4,5-dihydroxy-7-methyl-2'-oxo-4a-spiro[2,3,5,6,7,8a-hexahydro-1H-naphthalene-8,3'-oxolane]yl]methyl ester IUPAC Name: [(4R,4aR,5R,5'S,6S,7S,8S,8aS)-6-acetyloxy-4-(chloromethyl)-5'-(furan-3-yl)-4,5-dihydroxy-7-methyl-2'-oxospiro[2,3,5,6,7,8a-hexahydro-1H-naphthalene-8,3'-oxolane]-4a-yl]methyl acetate Traditional Name: acetic acid [(1S,2S,3S,4R,4aR,5R,5'S,8aS)-3-acetoxy-5-(chloromethyl)-5'-(3-furyl)-4,5-dihydroxy-2'-keto-2-methyl-spiro[decalin-1,3'-tetrahydrofuran]-4a-yl]methyl ester Formula: C24H31ClO9 MolecularWeight: 498.95054

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C2(C(C13CC(OC3=O)C4=COC=C4)CCCC2(CCl)O)COC(=O)C)O)OC(=O)C

Isomeric SMILES

C[C@@H]1[C@@H]([C@@H]([C@@]2([C@@H]([C@@]13C[C@H](OC3=O)C4=COC=C4)CCC[C@@]2(CCl)O)COC(=O)C)O)OC(=O)C

InChI

InChI=1S/C24H31ClO9/c1-13-19(33-15(3)27)20(28)24(12-32-14(2)26)18(5-4-7-22(24,30)11-25)23(13)9-17(34-21(23)29)16-6-8-31-10-16/h6,8,10,13,17-20,28,30H,4-5,7,9,11-12H2,1-3H3/t13-,17+,18-,19+,20+,22+,23-,24+/m1/s1