2-[(2S,4R,6S)-6-[[(1R,2R,3aS,4R,5R,7aR)-4-ethenyl-1-[(4-methoxyphenyl)methoxy]-2-methyl-2,3,3a,4,5,7a-hexahydro-1H-inden-5-yl]methyl]-2-(4-methoxyphenyl)-1,3-dioxan-4-yl]ethyl 2,2-dimethylpropanoate

Systemtic Name: 2-[(2S,4R,6S)-6-[[(1R,2R,3aS,4R,5R,7aR)-4-ethenyl-1-[(4-methoxyphenyl)methoxy]-2-methyl-2,3,3a,4,5,7a-hexahydro-1H-inden-5-yl]methyl]-2-(4-methoxyphenyl)-1,3-dioxan-4-yl]ethyl 2,2-dimethylpropanoate Openeye Name: 2-[(2S,4R,6S)-6-[[(1R,2R,3aS,4R,5R,7aR)-1-[(4-methoxyphenyl)methoxy]-2-methyl-4-vinyl-2,3,3a,4,5,7a-hexahydro-1H-inden-5-yl]methyl]-2-(4-methoxyphenyl)-1,3-dioxan-4-yl]ethyl 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid 2-[(2S,4R,6S)-6-[[(1R,2R,3aS,4R,5R,7aR)-4-ethenyl-1-[(4-methoxyphenyl)methoxy]-2-methyl-2,3,3a,4,5,7a-hexahydro-1H-inden-5-yl]methyl]-2-(4-methoxyphenyl)-1,3-dioxan-4-yl]ethyl ester IUPAC Name: 2-[(2S,4R,6S)-6-[[(1R,2R,3aS,4R,5R,7aR)-4-ethenyl-1-[(4-methoxyphenyl)methoxy]-2-methyl-2,3,3a,4,5,7a-hexahydro-1H-inden-5-yl]methyl]-2-(4-methoxyphenyl)-1,3-dioxan-4-yl]ethyl 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid 2-[(2S,4R,6S)-6-[[(1R,2R,3aS,4R,5R,7aR)-2-methyl-1-p-anisyloxy-4-vinyl-2,3,3a,4,5,7a-hexahydro-1H-inden-5-yl]methyl]-2-(4-methoxyphenyl)-1,3-dioxan-4-yl]ethyl ester Formula: C39H52O7 MolecularWeight: 632.82598

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2C(C1OCC3=CC=C(C=C3)OC)C=CC(C2C=C)CC4CC(OC(O4)C5=CC=C(C=C5)OC)CCOC(=O)C(C)(C)C

Isomeric SMILES

C[C@@H]1C[C@@H]2[C@H]([C@@H]1OCC3=CC=C(C=C3)OC)C=C[C@H]([C@H]2C=C)C[C@H]4C[C@H](O[C@H](O4)C5=CC=C(C=C5)OC)CCOC(=O)C(C)(C)C

InChI

InChI=1S/C39H52O7/c1-8-33-28(13-18-34-35(33)21-25(2)36(34)44-24-26-9-14-29(41-6)15-10-26)22-32-23-31(19-20-43-38(40)39(3,4)5)45-37(46-32)27-11-16-30(42-7)17-12-27/h8-18,25,28,31-37H,1,19-24H2,2-7H3/t25-,28+,31-,32+,33-,34-,35+,36-,37-/m1/s1