(1R,11S,13R)-7-[tert-butyl(dimethyl)silyl]oxy-11-(3-hydroxypropyl)-10,17-dioxatricyclo[11.3.1.03,8]heptadeca-3(8),4,6-trien-9-one

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

	Common Name	(1R,11S,13R)-7-[tert-butyl(dimethyl)silyl]oxy-11-(3-hydroxypropyl)-10,17-dioxatricyclo[11.3.1.03,8]heptadeca-3(8),4,6-trien-9-one	English Name	(1R,11S,13R)-7-[tert-butyl(dimethyl)silyl]oxy-11-(3-hydroxypropyl)-10,17-dioxatricyclo[11.3.1.03,8]heptadeca-3(8),4,6-trien-9-one
	CAS NO.	N/A	Molecular Weight	434.6
	Density	N/A	Boiling Point	N/A
	Molecular Formula	C₂₄H₃₈O₅Si	Melting Point	N/A
	MSDS	N/A	Flash Point	N/A
	Symbol	N/A	Signal Word	N/A

Properties

English Name	(1R,11S,13R)-7-[tert-butyl(dimethyl)silyl]oxy-11-(3-hydroxypropyl)-10,17-dioxatricyclo[11.3.1.03,8]heptadeca-3(8),4,6-trien-9-one

Molecular Formula	C24H38O5Si
Molecular Weight	434.6
Exact Mass	434.24885084
LogP	0.00
Standard SMILES	CC(C)(C)[Si](C)(C)Oc1cccc2c1C(=O)OC(CCCO)CC1CCCC(C2)O1
Canonical SMILES	CC(C)(C)[Si](C)(C)OC1=CC=CC2=C1C(=O)OC(CC3CCCC(C2)O3)CCCO
Isomeric SMILES	CC(C)(C)[Si](C)(C)OC1=CC=CC2=C1C(=O)O[C@H](C[C@H]3CCC[C@H](C2)O3)CCCO
Standard InChI Identifier	InChI=1S/C24H38O5Si/c1-24(2,3)30(4,5)29-21-13-6-9-17-15-18-10-7-11-19(27-18)16-20(12-8-14-25)28-23(26)22(17)21/h6,9,13,18-20,25H,7-8,10-12,14-16H2,1-5H3/t18-,19-,20+/m1/s1
Standard InChI Key	WTKADKWKAGFCHV-AQNXPRMDSA-N
Compound Complexity	572.00
computational chemistry	Hydrogen Bond Acceptor Count：5 Hydrogen Bond Donor Count：1 Rotatable Bond Count：6 Heavy Atom Count：30 Total Chiral Atom Count：3 Defined Chiral Atom Count：3 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：434.24885084