[(2R,3S,4R,6S)-6-[(2'R,3'S,3aR,4R,4'R,6S,7aR)-6-[(2S,3R,4S,5S,6R)-2-[(2R,3S,4S,5S,6S)-6-[(2R,3aS,3'aR,6R,6'R,7R,7'S,7aS,7'aR)-7'-ethanoyl-6'-methyl-7,7'-bis(oxidanyl)spiro[4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-2,4'-6,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran]-6-yl]oxy-5-methoxy-2-(methoxymethyl)-4-oxidanyl-oxan-3-yl]oxy-6-methyl-3,5-bis(oxidanyl)oxan-4-yl]oxy-2',4,7a-trimethyl-4'-oxidanyl-spiro[3a,4,6,7-tetrahydro-[1,3]dioxolo[4,5-c]pyran-2,6'-oxane]-3'-yl]oxy-2-methyl-4-oxidanyl-oxan-3-yl] 3,5-bis

Systemtic Name: [(2R,3S,4R,6S)-6-[(2'R,3'S,3aR,4R,4'R,6S,7aR)-6-[(2S,3R,4S,5S,6R)-2-[(2R,3S,4S,5S,6S)-6-[(2R,3aS,3'aR,6R,6'R,7R,7'S,7aS,7'aR)-7'-ethanoyl-6'-methyl-7,7'-bis(oxidanyl)spiro[4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-2,4'-6,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran]-6-yl]oxy-5-methoxy-2-(methoxymethyl)-4-oxidanyl-oxan-3-yl]oxy-6-methyl-3,5-bis(oxidanyl)oxan-4-yl]oxy-2',4,7a-trimethyl-4'-oxidanyl-spiro[3a,4,6,7-tetrahydro-[1,3]dioxolo[4,5-c]pyran-2,6'-oxane]-3'-yl]oxy-2-methyl-4-oxidanyl-oxan-3-yl] 3,5-bis Openeye Name: [(2R,3S,4R,6S)-6-[(2'R,3'S,3aR,4R,4'R,6S,7aR)-6-[(2S,3R,4S,5S,6R)-2-[(2R,3S,4S,5S,6S)-6-[(2R,3aS,3'aR,6R,6'R,7R,7'S,7aS,7'aR)-7'-acetyl-7,7'-dihydroxy-6'-methyl-spiro[4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-2,4'-6,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran]-6-yl]oxy-4-hydroxy-5-methoxy-2-(methoxymethyl)tetrahydropyran-3-yl]oxy-3,5-dihydroxy-6-methyl-tetrahydropyran-4-yl]oxy-4'-hydroxy-2',4,7a-trimethyl-spiro[3a,4,6,7-tetrahydro-[1,3]dioxolo[4,5-c]pyran-2,6'-tetrahydropyran]-3'-yl]oxy-4-hydroxy-2-methy CAS Name: 3,5-dichloro-2,4-dihydroxy-6-methylbenzoic acid [(2R,3S,4R,6S)-6-[[(2'R,3'S,3aR,4R,4'R,6S,7aR)-6-[[(2S,3R,4S,5S,6R)-2-[[(2R,3S,4S,5S,6S)-6-[[(2R,3aS,3'aR,6R,6'R,7R,7'S,7aS,7'aR)-7'-acetyl-7,7'-dihydroxy-6'-methyl-6-spiro[4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-2,4'-6,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran]yl]oxy]-4-hydroxy-5-methoxy-2-(methoxymethyl)-3-oxanyl]oxy]-3,5-dihydroxy-6-methyl-4-oxanyl]oxy]-4'-hydroxy-2',4,7a-trimethyl-3'-spiro[3a,4,6,7-tetrahydro-[1,3]dioxolo[4,5-c]pyran-2,6'-oxane]yl]o IUPAC Name: [(2R,3S,4R,6S)-6-[(2'R,3'S,3aR,4R,4'R,6S,7aR)-6-[(2S,3R,4S,5S,6R)-2-[(2R,3S,4S,5S,6S)-6-[(2R,3aS,3'aR,6R,6'R,7R,7'S,7aS,7'aR)-7'-acetyl-7,7'-dihydroxy-6'-methylspiro[4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-2,4'-6,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran]-6-yl]oxy-4-hydroxy-5-methoxy-2-(methoxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-methyloxan-4-yl]oxy-4'-hydroxy-2',4,7a-trimethylspiro[3a,4,6,7-tetrahydro-[1,3]dioxolo[4,5-c]pyran-2,6'-oxane]-3'-yl]oxy-4-hydroxy-2-methyloxan-3-yl] 3,5-dichloro-2,4-dihydr Traditional Name: 3,5-dichloro-2,4-dihydroxy-6-methyl-benzoic acid [(2R,3S,4R,6S)-6-[(2'R,3'S,3aR,4R,4'R,6S,7aR)-6-[(2S,3R,4S,5S,6R)-2-[(2R,3S,4S,5S,6S)-6-[(2R,3aS,3'aR,6R,6'R,7R,7'S,7aS,7'aR)-7'-acetyl-7,7'-dihydroxy-6'-methyl-spiro[4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-2,4'-6,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran]-6-yl]oxy-4-hydroxy-5-methoxy-2-(methoxymethyl)tetrahydropyran-3-yl]oxy-3,5-dihydroxy-6-methyl-tetrahydropyran-4-yl]oxy-4'-hydroxy-2',4,7a-trimethyl-spiro[3a,4,6,7-tetrahydro-[1,3]dioxolo[4,5-c]pyran- Formula: C55H78Cl2O31 MolecularWeight: 1306.09522

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(C(O1)OC2C(OC(C(C2O)OC)OC3C(C4C(CO3)OC5(O4)C6C(C(C(O5)C)(C(=O)C)O)OCO6)O)COC)O)OC7CC8(C(C(O7)C)OC9(O8)CC(C(C(O9)C)OC1CC(C(C(O1)C)OC(=O)C1=C(C(=C(C(=C1O)Cl)O)Cl)C)O)O)C)O

Isomeric SMILES

C[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@H]([C@H]2O)OC)O[C@@H]3[C@@H]([C@H]4[C@H](CO3)O[C@@]5(O4)[C@H]6[C@H]([C@@]([C@H](O5)C)(C(=O)C)O)OCO6)O)COC)O)O[C@H]7C[C@@]8([C@@H]([C@H](O7)C)OC9(O8)C[C@H]([C@@H]([C@H](O9)C)O[C@H]1C[C@H]([C@@H]([C@H](O1)C)OC(=O)C1=C(C(=C(C(=C1O)Cl)O)Cl)C)O)O)C)O

InChI

InChI=1S/C55H78Cl2O31/c1-17-30(34(62)32(57)35(63)31(17)56)48(67)80-39-19(3)74-28(11-24(39)59)78-40-20(4)83-53(12-25(40)60)87-45-21(5)75-29(13-52(45,8)88-53)79-43-33(61)18(2)76-50(38(43)66)81-41-26(14-69-9)77-51(44(70-10)36(41)64)82-49-37(65)42-27(15-71-49)85-55(86-42)47-46(72-16-73-47)54(68,22(6)58)23(7)84-55/h18-21,23-29,33,36-47,49-51,59-66,68H,11-16H2,1-10H3/t18-,19-,20-,21-,23-,24-,25-,26-,27+,28+,29+,33+,36+,37-,38-,39-,40-,41-,42-,43+,44+,45-,46-,47-,49-,50+,51+,52-,53?,54+,55-/m1/s1