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[(4aR,6S,7R,8R,8aS)-2,2-dimethyl-6-[(2R,3R,4R,5S,6S)-6-methyl-2-[(2R,3R,4R,5S,6S)-6-methyl-4,5-bis(phenylmethoxy)-2-prop-2-enoxy-oxan-3-yl]oxy-5-phenylmethoxy-4-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-oxan-3-yl]oxy-7-[2,2,2-tris(chloranyl)ethanoylamino]-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl] 4-oxidanylidenepentanoate

Systemtic Name:	[(4aR,6S,7R,8R,8aS)-2,2-dimethyl-6-[(2R,3R,4R,5S,6S)-6-methyl-2-[(2R,3R,4R,5S,6S)-6-methyl-4,5-bis(phenylmethoxy)-2-prop-2-enoxy-oxan-3-yl]oxy-5-phenylmethoxy-4-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-oxan-3-yl]oxy-7-[2,2,2-tris(chloranyl)ethanoylamino]-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl] 4-oxidanylidenepentanoate
Openeye Name:	[(4aR,6S,7R,8R,8aS)-6-[(2R,3R,4R,5S,6S)-2-[(2R,3R,4R,5S,6S)-2-allyloxy-4,5-dibenzyloxy-6-methyl-tetrahydropyran-3-yl]oxy-5-benzyloxy-6-methyl-4-[(2R,3R,4S,5R,6R)-3,4,5-tribenzyloxy-6-(benzyloxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-3-yl]oxy-2,2-dimethyl-7-[(2,2,2-trichloroacetyl)amino]-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl] 4-oxopentanoate
CAS Name:	4-oxopentanoic acid [(4aR,6S,7R,8R,8aS)-2,2-dimethyl-6-[[(2R,3R,4R,5S,6S)-6-methyl-2-[[(2R,3R,4R,5S,6S)-6-methyl-4,5-bis(phenylmethoxy)-2-prop-2-enoxy-3-oxanyl]oxy]-5-phenylmethoxy-4-[[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)-2-oxanyl]oxy]-3-oxanyl]oxy]-7-[(2,2,2-trichloro-1-oxoethyl)amino]-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl] ester
IUPAC Name:	[(4aR,6S,7R,8R,8aS)-2,2-dimethyl-6-[(2R,3R,4R,5S,6S)-6-methyl-2-[(2R,3R,4R,5S,6S)-6-methyl-4,5-bis(phenylmethoxy)-2-prop-2-enoxyoxan-3-yl]oxy-5-phenylmethoxy-4-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-7-[(2,2,2-trichloroacetyl)amino]-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl] 4-oxopentanoate
Traditional Name:	4-ketovaleric acid [(4aR,6S,7R,8R,8aS)-6-[(2R,3R,4R,5S,6S)-2-[(2R,3R,4R,5S,6S)-2-allyloxy-4,5-dibenzoxy-6-methyl-tetrahydropyran-3-yl]oxy-5-benzoxy-6-methyl-4-[(2R,3R,4S,5R,6R)-3,4,5-tribenzoxy-6-(benzoxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-3-yl]oxy-2,2-dimethyl-7-[(2,2,2-trichloroacetyl)amino]-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl] ester
Formula:	C₈₆H₉₈Cl₃NO₂₁
MolecularWeight:	1588.05142

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(C(O1)OCC=C)OC2C(C(C(C(O2)C)OCC3=CC=CC=C3)OC4C(C(C(C(O4)COCC5=CC=CC=C5)OCC6=CC=CC=C6)OCC7=CC=CC=C7)OCC8=CC=CC=C8)OC9C(C(C1C(O9)COC(O1)(C)C)OC(=O)CCC(=O)C)NC(=O)C(Cl)(Cl)Cl)OCC1=CC=CC=C1)OCC1=CC=CC=C1

Isomeric SMILES

C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OCC=C)O[C@@H]2[C@@H]([C@@H]([C@H]([C@@H](O2)C)OCC3=CC=CC=C3)O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)COCC5=CC=CC=C5)OCC6=CC=CC=C6)OCC7=CC=CC=C7)OCC8=CC=CC=C8)O[C@H]9[C@@H]([C@H]([C@H]1[C@H](O9)COC(O1)(C)C)OC(=O)CCC(=O)C)NC(=O)C(Cl)(Cl)Cl)OCC1=CC=CC=C1)OCC1=CC=CC=C1

InChI

InChI=1S/C86H98Cl3NO21/c1-7-45-95-81-78(74(99-50-62-37-23-12-24-38-62)69(56(3)103-81)96-47-59-31-17-9-18-32-59)110-83-79(109-80-68(90-84(93)86(87,88)89)73(107-67(92)44-43-55(2)91)72-66(105-80)54-102-85(5,6)111-72)76(70(57(4)104-83)97-48-60-33-19-10-20-34-60)108-82-77(101-52-64-41-27-14-28-42-64)75(100-51-63-39-25-13-26-40-63)71(98-49-61-35-21-11-22-36-61)65(106-82)53-94-46-58-29-15-8-16-30-58/h7-42,56-57,65-66,68-83H,1,43-54H2,2-6H3,(H,90,93)/t56-,57-,65+,66+,68+,69-,70-,71+,72+,73+,74+,75-,76+,77+,78+,79+,80-,81+,82+,83+/m0/s1

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