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6-{[12-({3,4-dihydroxy-6,6-dimethyl-5-[(2-methylpropanoyl)oxy]oxan-2-yl}oxy)-11-ethyl-8-hydroxy-18-(1-hydroxyethyl)-9,13,15-trimethyl-2-oxo-1-oxacyclooctadeca-3,5,9,13,15-pentaen-3-yl]methoxy}-4-hydroxy-5-methoxy-2-methyloxan-3-yl 3,5-dichloro-2-ethyl-4,6-dihydroxybenzoate

6-{[12-({3,4-dihydroxy-6,6-dimethyl-5-[(2-methylpropanoyl)oxy]oxan-2-yl}oxy)-11-ethyl-8-hydroxy-18-(1-hydroxyethyl)-9,13,15-trimethyl-2-oxo-1-oxacyclooctadeca-3,5,9,13,15-pentaen-3-yl]methoxy}-4-hydroxy-5-methoxy-2-methyloxan-3-yl 3,5-dichloro-2-ethyl-4,6-dihydroxybenzoate

CAS: 873857-62-6

Formula: C52H74Cl2O18

SMILES: CCC1C=C(C)C(O)CC=CC=C(COC2OC(C)C(OC(=O)C3=C(CC)C(Cl)=C(O)C(Cl)=C3O)C(O)C2OC)C(=O)OC(CC=C(C)C=C(C)C1OC1OC(C)(C)C(OC(=O)C(C)C)C(O)C1O)C(C)O

IUPAC: 6-{[12-({3,4-dihydroxy-6,6-dimethyl-5-[(2-methylpropanoyl)oxy]oxan-2-yl}oxy)-11-ethyl-8-hydroxy-18-(1-hydroxyethyl)-9,13,15-trimethyl-2-oxo-1-oxacyclooctadeca-3,5,9,13,15-pentaen-3-yl]methoxy}-4-hydroxy-5-methoxy-2-methyloxan-3-yl 3,5-dichloro-2-ethyl-4,6-dihydroxybenzoate

InChI: InChI=1/C52H74Cl2O18/c1-13-30-22-26(6)33(56)18-16-15-17-31(23-66-51-45(65-12)42(61)44(29(9)67-51)69-49(64)35-32(14-2)36(53)39(58)37(54)38(35)57)48(63)68-34(28(8)55)20-19-25(5)21-27(7)43(30)70-50-41(60)40(59)46(52(10,11)72-50)71-47(62)24(3)4/h15-17,19,21-2

Composition: C (59.03%), H (7.05%), Cl (6.70%), O (27.22%)

Molar Mass: 1058.05

Atom Count: 146

Heavy Atom Count: 72

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 14
Exact Mass 1056.4252209
Formal Charge 0
FSP3 0.63
Hetero Ring Count 3
Hydrogen Bond Acceptor Count 15
Hydrogen Bond Donor Count 7
InChIKey ZVGNESXIJDCBKN-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity 269.66
Topological Polar Surface Area 266.66
Polarizability 105.67
Ring Count 4
Rotatable Bond Count 15

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