(14R,15S,18S,19S,22S,23R)-19-hydroxy-4,8,14,18-tetramethyl-4,6,8-triazahexacyclo[12.11.0.03,12.05,10.015,23.018,22]pentacosa-1,3(12),5,10-tetraene-7,9-dione

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

	Common Name	(14R,15S,18S,19S,22S,23R)-19-hydroxy-4,8,14,18-tetramethyl-4,6,8-triazahexacyclo[12.11.0.03,12.05,10.015,23.018,22]pentacosa-1,3(12),5,10-tetraene-7,9-dione	English Name	(14R,15S,18S,19S,22S,23R)-19-hydroxy-4,8,14,18-tetramethyl-4,6,8-triazahexacyclo[12.11.0.03,12.05,10.015,23.018,22]pentacosa-1,3(12),5,10-tetraene-7,9-dione
	CAS NO.	N/A	Molecular Weight	435.6
	Density	N/A	Boiling Point	N/A
	Molecular Formula	C₂₆H₃₃N₃O₃	Melting Point	N/A
	MSDS	N/A	Flash Point	N/A
	Symbol	N/A	Signal Word	N/A

Properties

English Name	(14R,15S,18S,19S,22S,23R)-19-hydroxy-4,8,14,18-tetramethyl-4,6,8-triazahexacyclo[12.11.0.03,12.05,10.015,23.018,22]pentacosa-1,3(12),5,10-tetraene-7,9-dione

Molecular Formula	C26H33N3O3
Molecular Weight	435.6
Exact Mass	435.25219192
LogP	3.10
Standard SMILES	Cn1c2nc(=O)n(C)c(=O)c-2cc2c1C=C1CCC3C(CCC4(C)C(O)CCC34)C1(C)C2
Canonical SMILES	CC12CCC3C(C1CCC2O)CCC4=CC5=C(CC34C)C=C6C(=NC(=O)N(C6=O)C)N5C
Isomeric SMILES	C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=CC5=C(C[C@]34C)C=C6C(=NC(=O)N(C6=O)C)N5C
Standard InChI Identifier	InChI=1S/C26H33N3O3/c1-25-10-9-19-16(18(25)7-8-21(25)30)6-5-15-12-20-14(13-26(15,19)2)11-17-22(28(20)3)27-24(32)29(4)23(17)31/h11-12,16,18-19,21,30H,5-10,13H2,1-4H3/t16-,18-,19-,21-,25-,26-/m0/s1
Standard InChI Key	HQJMNZDQGXMYPN-GUXKXADFSA-N
Compound Complexity	1070.00
computational chemistry	Hydrogen Bond Acceptor Count：3 Hydrogen Bond Donor Count：1 Rotatable Bond Count：0 Heavy Atom Count：32 Total Chiral Atom Count：6 Defined Chiral Atom Count：6 Undefined Chiral Atom Count：0 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：435.25219192