[(2R,3S,4R,6S)-6-[(2'R,3'S,3aR,4R,4'R,6S)-6-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4S,5S,6S)-6-[(2R,3aS,3'aR,6S,6'R,7R,7'S,7aR,7'aR)-7'-ethanoyl-6'-methyl-7-(2-methylpropanoyloxy)-7'-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

Systemtic Name: [(2R,3S,4R,6S)-6-[(2'R,3'S,3aR,4R,4'R,6S)-6-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4S,5S,6S)-6-[(2R,3aS,3'aR,6S,6'R,7R,7'S,7aR,7'aR)-7'-ethanoyl-6'-methyl-7-(2-methylpropanoyloxy)-7'-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 Openeye Name: [(2R,3S,4R,6S)-6-[(2'R,3'S,3aR,4R,4'R,6S)-6-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4S,5S,6S)-6-[(2R,3aS,3'aR,6S,6'R,7R,7'S,7aR,7'aR)-7'-acetyl-7'-hydroxy-6'-methyl-7-(2-methylpropanoyloxy)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 CAS Name: 3-chloro-4-hydroxy-2-methoxy-6-methylbenzoic acid [(2R,3S,4R,6S)-6-[[(2'R,3'S,3aR,4R,4'R,6S)-6-[[(2S,3R,4R,5S,6R)-2-[[(2R,3S,4S,5S,6S)-6-[[(2R,3aS,3'aR,6S,6'R,7R,7'S,7aR,7'aR)-7'-acetyl-7'-hydroxy-6'-methyl-7-(2-methyl-1-oxopropoxy)-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 IUPAC Name: [(2R,3S,4R,6S)-6-[(2'R,3'S,3aR,4R,4'R,6S)-6-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4S,5S,6S)-6-[(2R,3aS,3'aR,6S,6'R,7R,7'S,7aR,7'aR)-7'-acetyl-7'-hydroxy-6'-methyl-7-(2-methylpropanoyloxy)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)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] Traditional Name: 3-chloro-4-hydroxy-2-methoxy-6-methyl-benzoic acid [(2R,3S,4R,6S)-6-[(2'R,3'S,3aR,4R,4'R,6S)-6-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4S,5S,6S)-6-[(2R,3aS,3'aR,6S,6'R,7R,7'S,7aR,7'aR)-7'-acetyl-7'-hydroxy-7-isobutyryloxy-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]diox Formula: C61H89ClO32 MolecularWeight: 1369.79316

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(CC(O1)OC2C(OC3(CC2O)OC4C(OC(CC4(O3)C)OC5C(C(OC(C5OC)C)OC6C(OC(C(C6O)OC)OC7C(C8C(CO7)OC9(O8)C1C(C(C(O9)C)(C(=O)C)O)OCO1)OC(=O)C(C)C)COC)O)C)C)O)OC(=O)C1=C(C(=C(C=C1C)O)Cl)OC

Isomeric SMILES

C[C@@H]1[C@H]([C@@H](C[C@@H](O1)O[C@@H]2[C@H](OC3(C[C@H]2O)O[C@@H]4[C@H](O[C@H](CC4(O3)C)O[C@@H]5[C@H]([C@@H](O[C@@H]([C@@H]5OC)C)O[C@@H]6[C@H](O[C@H]([C@H]([C@H]6O)OC)O[C@H]7[C@@H]([C@H]8[C@H](CO7)O[C@@]9(O8)[C@H]1[C@H]([C@@]([C@H](O9)C)(C(=O)C)O)OCO1)OC(=O)C(C)C)COC)O)C)C)O)OC(=O)C1=C(C(=C(C=C1C)O)Cl)OC

InChI

InChI=1S/C61H89ClO32/c1-22(2)53(69)86-49-45-34(91-61(92-45)52-51(77-21-78-52)60(71,28(8)63)29(9)90-61)20-76-56(49)88-57-48(75-14)39(67)44(33(82-57)19-72-11)87-55-40(68)47(43(73-12)25(5)81-55)84-36-18-58(10)50(27(7)80-36)93-59(94-58)17-32(66)42(26(6)89-59)83-35-16-31(65)41(24(4)79-35)85-54(70)37-23(3)15-30(64)38(62)46(37)74-13/h15,22,24-27,29,31-36,39-45,47-52,55-57,64-68,71H,16-21H2,1-14H3/t24-,25-,26-,27-,29-,31-,32-,33-,34+,35+,36+,39+,40-,41-,42-,43+,44-,45-,47-,48+,49-,50-,51-,52-,55+,56+,57+,58?,59?,60+,61-/m1/s1