[(3R,5S,7R,9S)-7-acetyloxy-3,9-bis[[(1S,2S,5R)-5-methyl-2-propan-2-yl-1-prop-2-enyl-cyclohexyl]oxy]-1-phenylmethoxy-undec-10-en-5-yl] ethanoate

Systemtic Name: [(3R,5S,7R,9S)-7-acetyloxy-3,9-bis[[(1S,2S,5R)-5-methyl-2-propan-2-yl-1-prop-2-enyl-cyclohexyl]oxy]-1-phenylmethoxy-undec-10-en-5-yl] ethanoate Openeye Name: [(1S,3R,5S)-3-acetoxy-5-[(1S,2S,5R)-1-allyl-2-isopropyl-5-methyl-cyclohexoxy]-1-[(2R)-2-[(1S,2S,5R)-1-allyl-2-isopropyl-5-methyl-cyclohexoxy]-4-benzyloxy-butyl]hept-6-enyl] acetate CAS Name: acetic acid [(3R,5S,7R,9S)-7-acetyloxy-3,9-bis[[(1S,2S,5R)-5-methyl-2-propan-2-yl-1-prop-2-enylcyclohexyl]oxy]-1-phenylmethoxyundec-10-en-5-yl] ester IUPAC Name: [(3R,5S,7R,9S)-7-acetyloxy-3,9-bis[[(1S,2S,5R)-5-methyl-2-propan-2-yl-1-prop-2-enylcyclohexyl]oxy]-1-phenylmethoxyundec-10-en-5-yl] acetate Traditional Name: acetic acid [(1S,3R,5S)-3-acetoxy-5-[(1S,2S,5R)-1-allyl-2-isopropyl-5-methyl-cyclohexoxy]-1-[(2R)-2-[(1S,2S,5R)-1-allyl-2-isopropyl-5-methyl-cyclohexoxy]-4-benzoxy-butyl]hept-6-enyl] ester Formula: C48H76O7 MolecularWeight: 765.11284

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)(CC=C)OC(CCOCC2=CC=CC=C2)CC(CC(CC(C=C)OC3(CC(CCC3C(C)C)C)CC=C)OC(=O)C)OC(=O)C)C(C)C

Isomeric SMILES

C[C@@H]1CC[C@H]([C@@](C1)(CC=C)O[C@H](CCOCC2=CC=CC=C2)C[C@@H](C[C@H](C[C@@H](C=C)O[C@]3(C[C@@H](CC[C@H]3C(C)C)C)CC=C)OC(=O)C)OC(=O)C)C(C)C

InChI

InChI=1S/C48H76O7/c1-12-25-47(31-36(8)20-22-45(47)34(4)5)54-41(14-3)28-43(52-38(10)49)30-44(53-39(11)50)29-42(24-27-51-33-40-18-16-15-17-19-40)55-48(26-13-2)32-37(9)21-23-46(48)35(6)7/h12-19,34-37,41-46H,1-3,20-33H2,4-11H3/t36-,37-,41-,42-,43+,44+,45+,46+,47+,48+/m1/s1