[(1S,3R,8S,11R,13S,16R,17S,19R)-16-hydroxy-6,6-dimethyl-2,5,7,12,18-pentaoxatetracyclo[9.9.0.03,8.013,19]icos-14-en-17-yl]methyl 2,2-dimethylpropanoate

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

	Common Name	[(1S,3R,8S,11R,13S,16R,17S,19R)-16-hydroxy-6,6-dimethyl-2,5,7,12,18-pentaoxatetracyclo[9.9.0.03,8.013,19]icos-14-en-17-yl]methyl 2,2-dimethylpropanoate	English Name	[(1S,3R,8S,11R,13S,16R,17S,19R)-16-hydroxy-6,6-dimethyl-2,5,7,12,18-pentaoxatetracyclo[9.9.0.03,8.013,19]icos-14-en-17-yl]methyl 2,2-dimethylpropanoate
	CAS NO.	N/A	Molecular Weight	440.5
	Density	N/A	Boiling Point	N/A
	Molecular Formula	C₂₃H₃₆O₈	Melting Point	N/A
	MSDS	N/A	Flash Point	N/A
	Symbol	N/A	Signal Word	N/A

Properties

English Name	[(1S,3R,8S,11R,13S,16R,17S,19R)-16-hydroxy-6,6-dimethyl-2,5,7,12,18-pentaoxatetracyclo[9.9.0.03,8.013,19]icos-14-en-17-yl]methyl 2,2-dimethylpropanoate

Molecular Formula	C23H36O8
Molecular Weight	440.5
Exact Mass	440.24101810
LogP	1.90
Standard SMILES	CC1(C)OCC2OC3CC4OC(COC(=O)C(C)(C)C)C(O)C=CC4OC3CCC2O1
Canonical SMILES	CC1(OCC2C(O1)CCC3C(O2)CC4C(O3)C=CC(C(O4)COC(=O)C(C)(C)C)O)C
Isomeric SMILES	CC1(OC[C@@H]2[C@@H](O1)CC[C@@H]3[C@@H](O2)C[C@@H]4[C@@H](O3)C=C[C@H]([C@@H](O4)COC(=O)C(C)(C)C)O)C
Standard InChI Identifier	InChI=1S/C23H36O8/c1-22(2,3)21(25)26-11-19-13(24)6-7-14-17(29-19)10-18-15(28-14)8-9-16-20(30-18)12-27-23(4,5)31-16/h6-7,13-20,24H,8-12H2,1-5H3/t13-,14+,15-,16+,17-,18+,19+,20-/m1/s1
Standard InChI Key	HLLGFBBCZSVIJP-WYQQMFRLSA-N
Compound Complexity	684.00
computational chemistry	Hydrogen Bond Acceptor Count：8 Hydrogen Bond Donor Count：1 Rotatable Bond Count：4 Heavy Atom Count：31 Total Chiral Atom Count：8 Defined Chiral Atom Count：8 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：440.24101810