[(2R,3R,4S,5R)-6-[[(3aS,4R,11aR)-2,2,11a-trimethyl-5,10-bis(oxidanyl)-6,9-bis(oxidanylidene)-4,11-dihydro-3aH-naphtho[2,3-f][1,3]benzodioxol-4-yl]oxy]-3,4,5-triacetyloxy-oxan-2-yl]methyl ethanoate

Systemtic Name: [(2R,3R,4S,5R)-6-[[(3aS,4R,11aR)-2,2,11a-trimethyl-5,10-bis(oxidanyl)-6,9-bis(oxidanylidene)-4,11-dihydro-3aH-naphtho[2,3-f][1,3]benzodioxol-4-yl]oxy]-3,4,5-triacetyloxy-oxan-2-yl]methyl ethanoate Openeye Name: [(2R,3R,4S,5R)-6-[[(3aS,4R,11aR)-5,10-dihydroxy-2,2,11a-trimethyl-6,9-dioxo-4,11-dihydro-3aH-naphtho[2,3-f][1,3]benzodioxol-4-yl]oxy]-3,4,5-triacetoxy-tetrahydropyran-2-yl]methyl acetate CAS Name: acetic acid [(2R,3R,4S,5R)-6-[[(3aS,4R,11aR)-5,10-dihydroxy-2,2,11a-trimethyl-6,9-dioxo-4,11-dihydro-3aH-naphtho[2,3-f][1,3]benzodioxol-4-yl]oxy]-3,4,5-triacetyloxy-2-oxanyl]methyl ester IUPAC Name: [(2R,3R,4S,5R)-6-[[(3aS,4R,11aR)-5,10-dihydroxy-2,2,11a-trimethyl-6,9-dioxo-4,11-dihydro-3aH-naphtho[2,3-f][1,3]benzodioxol-4-yl]oxy]-3,4,5-triacetyloxyoxan-2-yl]methyl acetate Traditional Name: acetic acid [(2R,3R,4S,5R)-6-[[(3aS,4R,11aR)-5,10-dihydroxy-6,9-diketo-2,2,11a-trimethyl-4,11-dihydro-3aH-naphtho[2,3-f][1,3]benzodioxol-4-yl]oxy]-3,4,5-triacetoxy-tetrahydropyran-2-yl]methyl ester Formula: C32H36O16 MolecularWeight: 676.61864

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1C(C(C(C(O1)OC2C3C(CC4=C(C5=C(C(=O)C=CC5=O)C(=C24)O)O)(OC(O3)(C)C)C)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@@](CC4=C(C5=C(C(=O)C=CC5=O)C(=C24)O)O)(OC(O3)(C)C)C)OC(=O)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C32H36O16/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/h8-9,19,25-30,39-40H,10-11H2,1-7H3/t19-,25-,26-,27+,28-,29+,30?,32-/m1/s1