[(2R,3S,4R,6S)-6-[(2'R,3'S,3aR,4R,4'R,6S,7aR)-6-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4R,5S,6S)-6-[(2R,3aS,3'aR,6R,6'R,7R,7'S,7aR,7'aR)-7'-ethanoyl-6'-methyl-7'-oxidanyl-7-pentanoyloxy-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-2-(methoxymethyl)-4,5-bis(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

Systemtic Name: [(2R,3S,4R,6S)-6-[(2'R,3'S,3aR,4R,4'R,6S,7aR)-6-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4R,5S,6S)-6-[(2R,3aS,3'aR,6R,6'R,7R,7'S,7aR,7'aR)-7'-ethanoyl-6'-methyl-7'-oxidanyl-7-pentanoyloxy-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-2-(methoxymethyl)-4,5-bis(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 Openeye Name: [(2R,3S,4R,6S)-6-[(2'R,3'S,3aR,4R,4'R,6S,7aR)-6-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4R,5S,6S)-6-[(2R,3aS,3'aR,6R,6'R,7R,7'S,7aR,7'aR)-7'-acetyl-7'-hydroxy-6'-methyl-7-pentanoyloxy-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-4,5-dihydroxy-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-hydr 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,4R,5S,6R)-2-[[(2R,3S,4R,5S,6S)-6-[[(2R,3aS,3'aR,6R,6'R,7R,7'S,7aR,7'aR)-7'-acetyl-7'-hydroxy-6'-methyl-7-(1-oxopentoxy)-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]-4,5-dihydroxy-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, IUPAC Name: [(2R,3S,4R,6S)-6-[(2'R,3'S,3aR,4R,4'R,6S,7aR)-6-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4R,5S,6S)-6-[(2R,3aS,3'aR,6R,6'R,7R,7'S,7aR,7'aR)-7'-acetyl-7'-hydroxy-6'-methyl-7-pentanoyloxyspiro[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-4,5-dihydroxy-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 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,4R,5S,6R)-2-[(2R,3S,4R,5S,6S)-6-[(2R,3aS,3'aR,6R,6'R,7R,7'S,7aR,7'aR)-7'-acetyl-7'-hydroxy-6'-methyl-7-valeryloxy-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-4,5-dihydroxy-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: C60H86Cl2O32 MolecularWeight: 1390.21164

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)OC1C2C(COC1OC3C(C(C(C(O3)COC)OC4C(C(C(C(O4)C)OC)OC5CC6(C(C(O5)C)OC7(O6)CC(C(C(O7)C)OC8CC(C(C(O8)C)OC(=O)C9=C(C(=C(C(=C9O)Cl)O)Cl)C)O)O)C)O)O)O)OC1(O2)C2C(C(C(O1)C)(C(=O)C)O)OCO2

Isomeric SMILES

CCCCC(=O)O[C@@H]1[C@H]2[C@H](CO[C@@H]1O[C@H]3[C@H]([C@H]([C@@H]([C@H](O3)COC)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)C)OC)O[C@H]5C[C@@]6([C@@H]([C@H](O5)C)OC7(O6)C[C@H]([C@@H]([C@H](O7)C)O[C@H]8C[C@H]([C@@H]([C@H](O8)C)OC(=O)C9=C(C(=C(C(=C9O)Cl)O)Cl)C)O)O)C)O)O)O)O[C@@]1(O2)[C@H]2[C@H]([C@@]([C@H](O1)C)(C(=O)C)O)OCO2

InChI

InChI=1S/C60H86Cl2O32/c1-12-13-14-32(66)83-49-47-31(91-60(92-47)52-51(77-20-78-52)59(73,26(7)63)27(8)90-60)19-76-56(49)88-54-41(70)40(69)46(30(82-54)18-74-10)87-55-42(71)48(45(75-11)23(4)81-55)85-34-17-57(9)50(25(6)80-34)93-58(94-57)16-29(65)44(24(5)89-58)84-33-15-28(64)43(22(3)79-33)86-53(72)35-21(2)36(61)39(68)37(62)38(35)67/h22-25,27-31,33-34,40-52,54-56,64-65,67-71,73H,12-20H2,1-11H3/t22-,23-,24-,25-,27-,28-,29-,30-,31+,33+,34+,40-,41+,42-,43-,44-,45+,46-,47-,48-,49-,50-,51-,52-,54+,55+,56-,57-,58?,59+,60-/m1/s1