(1R,3S,7S,8E,11S,17R)-7-(methoxymethoxy)-11-[(E,1S)-1-[(4-methoxyphenyl)methoxy]-3-[(2S)-4-methyl-3,6-dihydro-2H-pyran-2-yl]prop-2-enyl]-3-methyl-5-methylidene-12,21-dioxabicyclo[15.3.1]henicosa-8,18-dien-14-yn-13-one

Systemtic Name: (1R,3S,7S,8E,11S,17R)-7-(methoxymethoxy)-11-[(E,1S)-1-[(4-methoxyphenyl)methoxy]-3-[(2S)-4-methyl-3,6-dihydro-2H-pyran-2-yl]prop-2-enyl]-3-methyl-5-methylidene-12,21-dioxabicyclo[15.3.1]henicosa-8,18-dien-14-yn-13-one Openeye Name: (1R,3S,7S,8E,11S,17R)-7-(methoxymethoxy)-11-[(E,1S)-1-[(4-methoxyphenyl)methoxy]-3-[(2S)-4-methyl-3,6-dihydro-2H-pyran-2-yl]allyl]-3-methyl-5-methylene-12,21-dioxabicyclo[15.3.1]henicosa-8,18-dien-14-yn-13-one CAS Name: (1R,3S,7S,8E,11S,17R)-7-(methoxymethoxy)-11-[(E,1S)-1-[(4-methoxyphenyl)methoxy]-3-[(2S)-4-methyl-3,6-dihydro-2H-pyran-2-yl]prop-2-enyl]-3-methyl-5-methylene-12,21-dioxabicyclo[15.3.1]heneicosa-8,18-dien-14-yn-13-one IUPAC Name: (1R,3S,7S,8E,11S,17R)-7-(methoxymethoxy)-11-[(E,1S)-1-[(4-methoxyphenyl)methoxy]-3-[(2S)-4-methyl-3,6-dihydro-2H-pyran-2-yl]prop-2-enyl]-3-methyl-5-methylidene-12,21-dioxabicyclo[15.3.1]henicosa-8,18-dien-14-yn-13-one Traditional Name: (1R,3S,7S,8E,11S,17R)-7-(methoxymethoxy)-3-methyl-11-[(E,1S)-3-[(2S)-4-methyl-3,6-dihydro-2H-pyran-2-yl]-1-p-anisyloxy-allyl]-5-methylene-12,21-dioxabicyclo[15.3.1]heneicosa-8,18-dien-14-yn-13-one Formula: C40H52O8 MolecularWeight: 660.83608

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2CC=CC(O2)CC#CC(=O)OC(CC=CC(CC(=C)C1)OCOC)C(C=CC3CC(=CCO3)C)OCC4=CC=C(C=C4)OC

Isomeric SMILES

C[C@@H]1C[C@@H]2CC=C[C@H](O2)CC#CC(=O)O[C@@H](C/C=C/[C@H](CC(=C)C1)OCOC)[C@H](/C=C/[C@@H]3CC(=CCO3)C)OCC4=CC=C(C=C4)OC

InChI

InChI=1S/C40H52O8/c1-29-21-22-44-36(24-29)19-20-38(45-27-32-15-17-33(43-5)18-16-32)39-13-7-11-35(46-28-42-4)25-30(2)23-31(3)26-37-12-6-9-34(47-37)10-8-14-40(41)48-39/h6-7,9,11,15-21,31,34-39H,2,10,12-13,22-28H2,1,3-5H3/b11-7+,20-19+/t31-,34-,35+,36+,37-,38-,39-/m0/s1