methyl (1aS,4S,4aS,7R,8R,8aR)-4-(furan-3-yl)-7-[(1R,6R)-6-[[(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]-1,5,5-trimethyl-4-oxidanylidene-cyclohex-2-en-1-yl]-4a,8-dimethyl-2-oxidanylidene-4,5,6,7-tetrahydro-1aH-oxireno[2,3-d]isochromene-8-carboxylate

Systemtic Name: methyl (1aS,4S,4aS,7R,8R,8aR)-4-(furan-3-yl)-7-[(1R,6R)-6-[[(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]-1,5,5-trimethyl-4-oxidanylidene-cyclohex-2-en-1-yl]-4a,8-dimethyl-2-oxidanylidene-4,5,6,7-tetrahydro-1aH-oxireno[2,3-d]isochromene-8-carboxylate Openeye Name: methyl (1aS,4S,4aS,7R,8R,8aR)-4-(3-furyl)-4a,8-dimethyl-2-oxo-7-[(1R,6R)-1,5,5-trimethyl-4-oxo-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxymethyl]cyclohex-2-en-1-yl]-4,5,6,7-tetrahydro-1aH-oxireno[2,3-d]isochromene-8-carboxylate CAS Name: (1aS,4S,4aS,7R,8R,8aR)-4-(3-furanyl)-4a,8-dimethyl-2-oxo-7-[(1R,6R)-1,5,5-trimethyl-4-oxo-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxymethyl]-1-cyclohex-2-enyl]-4,5,6,7-tetrahydro-1aH-oxireno[2,3-d][2]benzopyran-8-carboxylic acid methyl ester IUPAC Name: methyl (1aS,4S,4aS,7R,8R,8aR)-4-(furan-3-yl)-4a,8-dimethyl-2-oxo-7-[(1R,6R)-1,5,5-trimethyl-4-oxo-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]cyclohex-2-en-1-yl]-4,5,6,7-tetrahydro-1aH-oxireno[2,3-d]isochromene-8-carboxylate Traditional Name: (1aS,4S,4aS,7R,8R,8aR)-4-(3-furyl)-2-keto-7-[(1R,6R)-4-keto-1,5,5-trimethyl-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxymethyl]cyclohex-2-en-1-yl]-4a,8-dimethyl-4,5,6,7-tetrahydro-1aH-oxiren[2,3-d]isochromene-8-carboxylic acid methyl ester Formula: C33H44O13 MolecularWeight: 648.69466

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C=CC1=O)(C)C2CCC3(C(OC(=O)C4C3(C2(C)C(=O)OC)O4)C5=COC=C5)C)COC6C(C(C(C(O6)CO)O)O)O)C

Isomeric SMILES

C[C@@]12CC[C@@H]([C@@]([C@@]13[C@H](O3)C(=O)O[C@H]2C4=COC=C4)(C)C(=O)OC)[C@]5(C=CC(=O)C([C@@H]5CO[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)(C)C)C

InChI

InChI=1S/C33H44O13/c1-29(2)19(15-43-27-23(38)22(37)21(36)17(13-34)44-27)30(3,10-8-20(29)35)18-7-11-31(4)24(16-9-12-42-14-16)45-26(39)25-33(31,46-25)32(18,5)28(40)41-6/h8-10,12,14,17-19,21-25,27,34,36-38H,7,11,13,15H2,1-6H3/t17-,18-,19+,21-,22+,23-,24+,25-,27-,30-,31+,32+,33-/m1/s1