[(1S,4R,5S,7R,11R,13R)-11-acetyloxy-13-[(3R,4R,5S,6S)-4-acetyloxy-3,5-dimethoxy-6-methyl-oxan-2-yl]oxy-4,7-dimethyl-7-[(3E,5E)-octa-3,5-dienyl]-9-oxidanylidene-8,15-dioxabicyclo[9.3.1]pentadecan-5-yl] ethanoate

Systemtic Name: [(1S,4R,5S,7R,11R,13R)-11-acetyloxy-13-[(3R,4R,5S,6S)-4-acetyloxy-3,5-dimethoxy-6-methyl-oxan-2-yl]oxy-4,7-dimethyl-7-[(3E,5E)-octa-3,5-dienyl]-9-oxidanylidene-8,15-dioxabicyclo[9.3.1]pentadecan-5-yl] ethanoate Openeye Name: [(1S,4R,5S,7R,11R,13R)-11-acetoxy-13-[(3R,4R,5S,6S)-4-acetoxy-3,5-dimethoxy-6-methyl-tetrahydropyran-2-yl]oxy-4,7-dimethyl-7-[(3E,5E)-octa-3,5-dienyl]-9-oxo-8,15-dioxabicyclo[9.3.1]pentadecan-5-yl] acetate CAS Name: acetic acid [(1S,4R,5S,7R,11R,13R)-11-acetyloxy-13-[[(3R,4R,5S,6S)-4-acetyloxy-3,5-dimethoxy-6-methyl-2-oxanyl]oxy]-4,7-dimethyl-7-[(3E,5E)-octa-3,5-dienyl]-9-oxo-8,15-dioxabicyclo[9.3.1]pentadecan-5-yl] ester IUPAC Name: [(1S,4R,5S,7R,11R,13R)-11-acetyloxy-13-[(3R,4R,5S,6S)-4-acetyloxy-3,5-dimethoxy-6-methyloxan-2-yl]oxy-4,7-dimethyl-7-[(3E,5E)-octa-3,5-dienyl]-9-oxo-8,15-dioxabicyclo[9.3.1]pentadecan-5-yl] acetate Traditional Name: acetic acid [(1S,4R,5S,7R,11R,13R)-11-acetoxy-13-[(3R,4R,5S,6S)-4-acetoxy-3,5-dimethoxy-6-methyl-tetrahydropyran-2-yl]oxy-9-keto-4,7-dimethyl-7-[(3E,5E)-octa-3,5-dienyl]-8,15-dioxabicyclo[9.3.1]pentadecan-5-yl] ester Formula: C37H58O13 MolecularWeight: 710.84862

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC=CC=CCCC1(CC(C(CCC2CC(CC(O2)(CC(=O)O1)OC(=O)C)OC3C(C(C(C(O3)C)OC)OC(=O)C)OC)C)OC(=O)C)C

Isomeric SMILES

CC/C=C/C=C/CC[C@@]1(C[C@@H]([C@@H](CC[C@H]2C[C@H](C[C@](O2)(CC(=O)O1)OC(=O)C)OC3[C@@H]([C@@H]([C@H]([C@@H](O3)C)OC)OC(=O)C)OC)C)OC(=O)C)C

InChI

InChI=1S/C37H58O13/c1-10-11-12-13-14-15-18-36(7)21-30(45-25(4)38)23(2)16-17-28-19-29(20-37(49-28,48-27(6)40)22-31(41)50-36)47-35-34(43-9)33(46-26(5)39)32(42-8)24(3)44-35/h11-14,23-24,28-30,32-35H,10,15-22H2,1-9H3/b12-11+,14-13+/t23-,24+,28+,29-,30+,32+,33-,34-,35?,36-,37+/m1/s1