(1R,2R,3R,6R,8R,9R,13R,17S,18R)-11-ethyl-8-hydroxy-6,18-dimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,4.01,10.03,8.013,17]nonadecane-5,14-dione

Update Time: 2025-04-25 16:31:57

	Common Name	(1R,2R,3R,6R,8R,9R,13R,17S,18R)-11-ethyl-8-hydroxy-6,18-dimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,4.01,10.03,8.013,17]nonadecane-5,14-dione	English Name	(1R,2R,3R,6R,8R,9R,13R,17S,18R)-11-ethyl-8-hydroxy-6,18-dimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,4.01,10.03,8.013,17]nonadecane-5,14-dione
	CAS NO.	N/A	Molecular Weight	433.5
	Density	N/A	Boiling Point	N/A
	Molecular Formula	C₂₄H₃₅NO₆	Melting Point	N/A
	MSDS	N/A	Flash Point	N/A
	Symbol	N/A	Signal Word	N/A

Properties

English Name	(1R,2R,3R,6R,8R,9R,13R,17S,18R)-11-ethyl-8-hydroxy-6,18-dimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,4.01,10.03,8.013,17]nonadecane-5,14-dione

Molecular Formula	C24H35NO6
Molecular Weight	433.5
Exact Mass	433.24643784
LogP	-0.20
Standard SMILES	CCN1CC2(COC)C(=O)CCC34C5CC6C(=O)C(OC)CC(O)(C65)C(C(OC)C23)C14
Canonical SMILES	CCN1CC2(C3C(C4C1C3(CCC2=O)C5CC6C5C4(CC(C6=O)OC)O)OC)COC
Isomeric SMILES	CCN1C[C@]2([C@H]3[C@H]([C@H]4C1[C@]3(CCC2=O)[C@@H]5CC6[C@@H]5[C@@]4(C[C@H](C6=O)OC)O)OC)COC
Standard InChI Identifier	InChI=1S/C24H35NO6/c1-5-25-10-22(11-29-2)15(26)6-7-23-13-8-12-16(13)24(28,9-14(30-3)18(12)27)17(21(23)25)19(31-4)20(22)23/h12-14,16-17,19-21,28H,5-11H2,1-4H3/t12?,13-,14-,16+,17+,19+,20-,21?,22+,23-,24-/m1/s1
Standard InChI Key	FKCVXFDJWKSVGF-AKPQBCBZSA-N
Compound Complexity	833.00
computational chemistry	Hydrogen Bond Acceptor Count：7 Hydrogen Bond Donor Count：1 Rotatable Bond Count：5 Heavy Atom Count：31 Total Chiral Atom Count：11 Defined Chiral Atom Count：9 Undefined Chiral Atom Count：2 Total Chiral Bond Count：0 Defined Chiral Bond Count：0 Undefined Chiral Bond Count：0 Isotope Atom Count：0 Covalent Unit Count：1 Tautomer Count：-1 Monoisotopic Mass：433.24643784