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14-ethyl-7,12,13-trihydroxy-4-[(5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl)oxy]-6-{[3-hydroxy-6-methyl-4-(methylamino)oxan-2-yl]oxy}-3,5,7,9,11,13-hexamethyl-1-oxacyclotetradecane-2,10-dione

14-ethyl-7,12,13-trihydroxy-4-[(5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl)oxy]-6-{[3-hydroxy-6-methyl-4-(methylamino)oxan-2-yl]oxy}-3,5,7,9,11,13-hexamethyl-1-oxacyclotetradecane-2,10-dione

CAS: 992-62-1

Formula: C36H65NO13

SMILES: CCC1OC(=O)C(C)C(OC2CC(C)(OC)C(O)C(C)O2)C(C)C(OC2OC(C)CC(NC)C2O)C(C)(O)CC(C)C(=O)C(C)C(O)C1(C)O

IUPAC: 14-ethyl-7,12,13-trihydroxy-4-[(5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl)oxy]-6-{[3-hydroxy-6-methyl-4-(methylamino)oxan-2-yl]oxy}-3,5,7,9,11,13-hexamethyl-1-oxacyclotetradecane-2,10-dione

InChI: InChI=1/C36H65NO13/c1-13-24-36(10,44)29(40)19(4)26(38)17(2)15-34(8,43)31(50-33-27(39)23(37-11)14-18(3)46-33)20(5)28(21(6)32(42)48-24)49-25-16-35(9,45-12)30(41)22(7)47-25/h17-25,27-31,33,37,39-41,43-44H,13-16H2,1-12H3

Composition: C (60.06%), H (9.10%), N (1.95%), O (28.89%)

Molar Mass: 719.91

Atom Count: 115

Heavy Atom Count: 50

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 18
Exact Mass 719.445591157
Formal Charge 0
FSP3 0.94
Hetero Ring Count 3
Hydrogen Bond Acceptor Count 13
Hydrogen Bond Donor Count 6
InChIKey TXOOBKBDBNRQCF-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity 180.74
Topological Polar Surface Area 202.7
Polarizability 73.93
Ring Count 3
Rotatable Bond Count 7

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Purity LeadTime CAS PacketSize UnitPrice
97% <14 Days 992-62-1 $84.66-$881.28$84.66$109.14$206.04$491.64$881.28
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