[(2R,3R,4S,5R)-6-[[(3aS,4R,11aR)-2,2,11a-trimethyl-6-oxidanyl-5,10-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-6-oxidanyl-5,10-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)-6-hydroxy-2,2,11a-trimethyl-5,10-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)-6-hydroxy-2,2,11a-trimethyl-5,10-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)-6-hydroxy-2,2,11a-trimethyl-5,10-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)-6-hydroxy-5,10-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: C32H36O15 MolecularWeight: 660.61924

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1C(C(C(C(O1)OC2C3C(CC4=C2C(=O)C5=C(C4=O)C=CC=C5O)(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=C2C(=O)C5=C(C4=O)C=CC=C5O)(OC(O3)(C)C)C)OC(=O)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C32H36O15/c1-13(33)40-12-20-25(41-14(2)34)27(42-15(3)35)28(43-16(4)36)30(44-20)45-26-22-18(11-32(7)29(26)46-31(5,6)47-32)23(38)17-9-8-10-19(37)21(17)24(22)39/h8-10,20,25-30,37H,11-12H2,1-7H3/t20-,25-,26-,27+,28-,29+,30?,32-/m1/s1