[(2R,3S,4R,6S)-6-[(2'R,3'S,3aR,4R,4'R,7aR)-6-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4S,5S,6S)-6-[(2R,3aS,3'aR,6S,6'R,7R,7'S,7aS,7'aR)-7'-ethyl-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-5-methoxy-6-methyl-3-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(c

Systemtic Name: [(2R,3S,4R,6S)-6-[(2'R,3'S,3aR,4R,4'R,7aR)-6-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4S,5S,6S)-6-[(2R,3aS,3'aR,6S,6'R,7R,7'S,7aS,7'aR)-7'-ethyl-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-5-methoxy-6-methyl-3-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(c Openeye Name: [(2R,3S,4R,6S)-6-[(2'R,3'S,3aR,4R,4'R,7aR)-6-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4S,5S,6S)-6-[(2R,3aS,3'aR,6S,6'R,7R,7'S,7aS,7'aR)-7'-ethyl-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-hydroxy-5-methoxy-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-met CAS Name: 3,5-dichloro-4-hydroxy-2-methoxy-6-methylbenzoic acid [(2R,3S,4R,6S)-6-[[(2'R,3'S,3aR,4R,4'R,7aR)-6-[[(2S,3R,4R,5S,6R)-2-[[(2R,3S,4S,5S,6S)-6-[[(2R,3aS,3'aR,6S,6'R,7R,7'S,7aS,7'aR)-7'-ethyl-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-hydroxy-5-methoxy-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'-ox IUPAC Name: [(2R,3S,4R,6S)-6-[(2'R,3'S,3aR,4R,4'R,7aR)-6-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4S,5S,6S)-6-[(2R,3aS,3'aR,6S,6'R,7R,7'S,7aS,7'aR)-7'-ethyl-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-hydroxy-5-methoxy-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-4-hydrox Traditional Name: 3,5-dichloro-4-hydroxy-2-methoxy-6-methyl-benzoic acid [(2R,3S,4R,6S)-6-[(2'R,3'S,3aR,4R,4'R,7aR)-6-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4S,5S,6S)-6-[(2R,3aS,3'aR,6S,6'R,7R,7'S,7aS,7'aR)-7'-ethyl-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-hydroxy-5-methoxy-6-methyl-tetrahydropyran-4-yl]oxy-4'-hydroxy-2',4,7a-trimethyl-spiro[3a,4,6,7-tetrahydro-[1,3]dioxolo[4,5- Formula: C57H84Cl2O30 MolecularWeight: 1320.16486

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C(OC2(C3C1OCO3)OC4COC(C(C4O2)O)OC5C(C(C(C(O5)COC)OC6C(C(C(C(O6)C)OC)OC7CC8(C(C(O7)C)OC9(O8)CC(C(C(O9)C)OC1CC(C(C(O1)C)OC(=O)C1=C(C(=C(C(=C1OC)Cl)O)Cl)C)O)O)C)O)O)OC)C)O

Isomeric SMILES

CC[C@@]1([C@H](O[C@]2([C@H]3[C@H]1OCO3)O[C@H]4CO[C@H]([C@@H]([C@@H]4O2)O)O[C@H]5[C@H]([C@H]([C@@H]([C@H](O5)COC)O[C@H]6[C@@H]([C@H]([C@H]([C@H](O6)C)OC)OC7C[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(=C1OC)Cl)O)Cl)C)O)O)C)O)O)OC)C)O

InChI

InChI=1S/C57H84Cl2O30/c1-13-55(67)25(7)85-57(49-48(55)73-19-74-49)86-29-18-72-51(37(64)43(29)87-57)83-53-46(71-12)36(63)42(28(78-53)17-68-9)82-52-38(65)45(41(69-10)22(4)77-52)80-31-16-54(8)47(24(6)76-31)88-56(89-54)15-27(61)40(23(5)84-56)79-30-14-26(60)39(21(3)75-30)81-50(66)32-20(2)33(58)35(62)34(59)44(32)70-11/h21-31,36-43,45-49,51-53,60-65,67H,13-19H2,1-12H3/t21-,22-,23-,24-,25-,26-,27-,28-,29+,30+,31?,36+,37-,38-,39-,40-,41+,42-,43-,45-,46+,47-,48-,49-,51+,52+,53+,54-,55+,56?,57-/m1/s1