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6-{[4-(dimethylamino)-3,5-dihydroxy-6-methyloxan-2-yl]oxy}-16-ethyl-4-hydroxy-5,9,13-trimethyl-7-[2-(piperidin-1-yl)ethyl]-15-(piperidin-1-ylmethyl)-1-oxacyclohexadeca-11,13-diene-2,10-dione

6-{[4-(dimethylamino)-3,5-dihydroxy-6-methyloxan-2-yl]oxy}-16-ethyl-4-hydroxy-5,9,13-trimethyl-7-[2-(piperidin-1-yl)ethyl]-15-(piperidin-1-ylmethyl)-1-oxacyclohexadeca-11,13-diene-2,10-dione

CAS: 328898-40-4

Formula: C41H71N3O8

SMILES: CCC1OC(=O)CC(O)C(C)C(OC2OC(C)C(O)C(C2O)N(C)C)C(CCN2CCCCC2)CC(C)C(=O)C=CC(C)=CC1CN1CCCCC1

IUPAC: 6-{[4-(dimethylamino)-3,5-dihydroxy-6-methyloxan-2-yl]oxy}-16-ethyl-4-hydroxy-5,9,13-trimethyl-7-[2-(piperidin-1-yl)ethyl]-15-[(piperidin-1-yl)methyl]-1-oxacyclohexadeca-11,13-diene-2,10-dione

InChI: InChI=1/C41H71N3O8/c1-8-35-32(26-44-20-13-10-14-21-44)23-27(2)15-16-33(45)28(3)24-31(17-22-43-18-11-9-12-19-43)40(29(4)34(46)25-36(47)51-35)52-41-39(49)37(42(6)7)38(48)30(5)50-41/h15-16,23,28-32,34-35,37-41,46,48-49H,8-14,17-22,24-26H2,1-7H3

Composition: C (67.09%), H (9.75%), N (5.72%), O (17.44%)

Molar Mass: 734.032

Atom Count: 123

Heavy Atom Count: 52

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 12
Exact Mass 733.524116258
Formal Charge 0
FSP3 0.85
Hetero Ring Count 4
Hydrogen Bond Acceptor Count 10
Hydrogen Bond Donor Count 3
InChIKey HNDXPZPJZGTJLJ-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity 206.76
Topological Polar Surface Area 132.24
Polarizability 81.51
Ring Count 4
Rotatable Bond Count 9

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Purity LeadTime CAS UnitPrice
98% <10 Days 328898-40-4 Quote Only