[(E,3R,4R)-6-[(4S,6S)-6-[[(4R,6R)-6-[[(4S,6S)-6-[(2S,3R)-2-(1,3-benzodithiol-2-yloxy)-3-methyl-4-oxidanyl-butyl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]-2,4-dimethyl-hex-5-en-3-yl] 2-diethoxyphosphorylethanoate

Systemtic Name: [(E,3R,4R)-6-[(4S,6S)-6-[[(4R,6R)-6-[[(4S,6S)-6-[(2S,3R)-2-(1,3-benzodithiol-2-yloxy)-3-methyl-4-oxidanyl-butyl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]-2,4-dimethyl-hex-5-en-3-yl] 2-diethoxyphosphorylethanoate Openeye Name: [(E,1R,2R)-4-[(4S,6S)-6-[[(4R,6R)-6-[[(4S,6S)-6-[(2S,3R)-2-(1,3-benzodithiol-2-yloxy)-4-hydroxy-3-methyl-butyl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]-1-isopropyl-2-methyl-but-3-enyl] 2-diethoxyphosphorylacetate CAS Name: 2-diethoxyphosphorylacetic acid [(E,3R,4R)-6-[(4S,6S)-6-[[(4R,6R)-6-[[(4S,6S)-6-[(2S,3R)-2-(1,3-benzodithiol-2-yloxy)-4-hydroxy-3-methylbutyl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]-2,4-dimethylhex-5-en-3-yl] ester IUPAC Name: [(E,3R,4R)-6-[(4S,6S)-6-[[(4R,6R)-6-[[(4S,6S)-6-[(2S,3R)-2-(1,3-benzodithiol-2-yloxy)-4-hydroxy-3-methylbutyl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]-2,4-dimethylhex-5-en-3-yl] 2-diethoxyphosphorylacetate Traditional Name: 2-diethoxyphosphorylacetic acid [(E,1R,2R)-4-[(4S,6S)-6-[[(4R,6R)-6-[[(4S,6S)-6-[(2S,3R)-2-(1,3-benzodithiol-2-yloxy)-4-hydroxy-3-methyl-butyl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]-1-isopropyl-2-methyl-but-3-enyl] ester Formula: C46H75O13PS2 MolecularWeight: 931.183661

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(CC(=O)OC(C(C)C)C(C)C=CC1CC(OC(O1)(C)C)CC2CC(OC(O2)(C)C)CC3CC(OC(O3)(C)C)CC(C(C)CO)OC4SC5=CC=CC=C5S4)OCC

Isomeric SMILES

CCOP(=O)(CC(=O)O[C@@H]([C@H](C)/C=C/[C@@H]1C[C@@H](OC(O1)(C)C)C[C@H]2C[C@@H](OC(O2)(C)C)C[C@H]3C[C@H](OC(O3)(C)C)C[C@@H]([C@H](C)CO)OC4SC5=CC=CC=C5S4)C(C)C)OCC

InChI

InChI=1S/C46H75O13PS2/c1-13-50-60(49,51-14-2)28-41(48)53-42(29(3)4)30(5)19-20-32-21-33(55-44(7,8)54-32)22-34-23-35(57-45(9,10)56-34)24-36-25-37(59-46(11,12)58-36)26-38(31(6)27-47)52-43-61-39-17-15-16-18-40(39)62-43/h15-20,29-38,42-43,47H,13-14,21-28H2,1-12H3/b20-19+/t30-,31-,32-,33-,34+,35-,36+,37+,38+,42-/m1/s1