[(2R,3R,4S,5R,6R)-6-[[(1S,4aR,9aR)-3-methyl-8-oxidanyl-9,10-bis(oxidanylidene)-1,4,4a,9a-tetrahydroanthracen-1-yl]oxy]-3,4,5-triacetyloxy-oxan-2-yl]methyl ethanoate

Systemtic Name: [(2R,3R,4S,5R,6R)-6-[[(1S,4aR,9aR)-3-methyl-8-oxidanyl-9,10-bis(oxidanylidene)-1,4,4a,9a-tetrahydroanthracen-1-yl]oxy]-3,4,5-triacetyloxy-oxan-2-yl]methyl ethanoate Openeye Name: [(2R,3R,4S,5R,6R)-6-[[(1S,4aR,9aR)-8-hydroxy-3-methyl-9,10-dioxo-1,4,4a,9a-tetrahydroanthracen-1-yl]oxy]-3,4,5-triacetoxy-tetrahydropyran-2-yl]methyl acetate CAS Name: acetic acid [(2R,3R,4S,5R,6R)-6-[[(1S,4aR,9aR)-8-hydroxy-3-methyl-9,10-dioxo-1,4,4a,9a-tetrahydroanthracen-1-yl]oxy]-3,4,5-triacetyloxy-2-oxanyl]methyl ester IUPAC Name: [(2R,3R,4S,5R,6R)-6-[[(1S,4aR,9aR)-8-hydroxy-3-methyl-9,10-dioxo-1,4,4a,9a-tetrahydroanthracen-1-yl]oxy]-3,4,5-triacetyloxyoxan-2-yl]methyl acetate Traditional Name: acetic acid [(2R,3R,4S,5R,6R)-6-[[(1S,4aR,9aR)-8-hydroxy-9,10-diketo-3-methyl-1,4,4a,9a-tetrahydroanthracen-1-yl]oxy]-3,4,5-triacetoxy-tetrahydropyran-2-yl]methyl ester Formula: C29H32O13 MolecularWeight: 588.55658

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(C2C(C1)C(=O)C3=C(C2=O)C(=CC=C3)O)OC4C(C(C(C(O4)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

Isomeric SMILES

CC1=C[C@@H]([C@H]2[C@@H](C1)C(=O)C3=C(C2=O)C(=CC=C3)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C29H32O13/c1-12-9-18-23(25(36)22-17(24(18)35)7-6-8-19(22)34)20(10-12)41-29-28(40-16(5)33)27(39-15(4)32)26(38-14(3)31)21(42-29)11-37-13(2)30/h6-8,10,18,20-21,23,26-29,34H,9,11H2,1-5H3/t18-,20+,21-,23-,26-,27+,28-,29-/m1/s1