[(2R,3R,4S,5R)-6-[[(3aS,4R,4aR,10aR,11aR)-2,2,11a-trimethyl-6,9-bis(oxidanyl)-5,10-bis(oxidanylidene)-4,4a,10a,11-tetrahydro-3aH-anthra[2,3-d][1,3]dioxol-4-yl]oxy]-3,4,5-triacetyloxy-oxan-2-yl]methyl ethanoate

Systemtic Name: [(2R,3R,4S,5R)-6-[[(3aS,4R,4aR,10aR,11aR)-2,2,11a-trimethyl-6,9-bis(oxidanyl)-5,10-bis(oxidanylidene)-4,4a,10a,11-tetrahydro-3aH-anthra[2,3-d][1,3]dioxol-4-yl]oxy]-3,4,5-triacetyloxy-oxan-2-yl]methyl ethanoate Openeye Name: [(2R,3R,4S,5R)-6-[[(3aS,4R,4aR,10aR,11aR)-6,9-dihydroxy-2,2,11a-trimethyl-5,10-dioxo-4,4a,10a,11-tetrahydro-3aH-anthra[2,3-d][1,3]dioxol-4-yl]oxy]-3,4,5-triacetoxy-tetrahydropyran-2-yl]methyl acetate CAS Name: acetic acid [(2R,3R,4S,5R)-6-[[(3aS,4R,4aR,10aR,11aR)-6,9-dihydroxy-2,2,11a-trimethyl-5,10-dioxo-4,4a,10a,11-tetrahydro-3aH-anthra[2,3-d][1,3]dioxol-4-yl]oxy]-3,4,5-triacetyloxy-2-oxanyl]methyl ester IUPAC Name: [(2R,3R,4S,5R)-6-[[(3aS,4R,4aR,10aR,11aR)-6,9-dihydroxy-2,2,11a-trimethyl-5,10-dioxo-4,4a,10a,11-tetrahydro-3aH-anthra[2,3-d][1,3]dioxol-4-yl]oxy]-3,4,5-triacetyloxyoxan-2-yl]methyl acetate Traditional Name: acetic acid [(2R,3R,4S,5R)-6-[[(3aS,4R,4aR,10aR,11aR)-6,9-dihydroxy-5,10-diketo-2,2,11a-trimethyl-4,4a,10a,11-tetrahydro-3aH-anthra[2,3-d][1,3]dioxol-4-yl]oxy]-3,4,5-triacetoxy-tetrahydropyran-2-yl]methyl ester Formula: C32H38O16 MolecularWeight: 678.63452

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1C(C(C(C(O1)OC2C3C(CC4(C2OC(O4)(C)C)C)C(=O)C5=C(C=CC(=C5C3=O)O)O)OC(=O)C)OC(=O)C)OC(=O)C

Isomeric SMILES

CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H](C(O1)O[C@@H]2[C@H]3[C@@H](C[C@@]4([C@H]2OC(O4)(C)C)C)C(=O)C5=C(C=CC(=C5C3=O)O)O)OC(=O)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C32H38O16/c1-12(33)41-11-19-25(42-13(2)34)27(43-14(3)35)28(44-15(4)36)30(45-19)46-26-20-16(10-32(7)29(26)47-31(5,6)48-32)23(39)21-17(37)8-9-18(38)22(21)24(20)40/h8-9,16,19-20,25-30,37-38H,10-11H2,1-7H3/t16-,19-,20+,25-,26-,27+,28-,29+,30?,32-/m1/s1