chloromethyl (8S,9S,10R,11S,13S,14S,17R)-11-hydroxy-10,13-dimethyl-3-oxo-17-propoxy-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-17-carboxylate

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

	Common Name	chloromethyl (8S,9S,10R,11S,13S,14S,17R)-11-hydroxy-10,13-dimethyl-3-oxo-17-propoxy-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-17-carboxylate	English Name	chloromethyl (8S,9S,10R,11S,13S,14S,17R)-11-hydroxy-10,13-dimethyl-3-oxo-17-propoxy-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-17-carboxylate
	CAS NO.	N/A	Molecular Weight	437.0
	Density	N/A	Boiling Point	N/A
	Molecular Formula	C₂₄H₃₃ClO₅	Melting Point	N/A
	MSDS	N/A	Flash Point	N/A
	Symbol	N/A	Signal Word	N/A

Properties

English Name	chloromethyl (8S,9S,10R,11S,13S,14S,17R)-11-hydroxy-10,13-dimethyl-3-oxo-17-propoxy-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-17-carboxylate

Molecular Formula	C24H33ClO5
Molecular Weight	437.0
Exact Mass	436.2016518
LogP	4.00
Standard SMILES	CCCOC1(C(=O)OCCl)CCC2C3CCC4=CC(=O)C=CC4(C)C3C(O)CC21C
Canonical SMILES	CCCOC1(CCC2C1(CC(C3C2CCC4=CC(=O)C=CC34C)O)C)C(=O)OCCl
Isomeric SMILES	CCCO[C@@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2CCC4=CC(=O)C=C[C@]34C)O)C)C(=O)OCCl
Standard InChI Identifier	InChI=1S/C24H33ClO5/c1-4-11-30-24(21(28)29-14-25)10-8-18-17-6-5-15-12-16(26)7-9-22(15,2)20(17)19(27)13-23(18,24)3/h7,9,12,17-20,27H,4-6,8,10-11,13-14H2,1-3H3/t17-,18-,19-,20+,22-,23-,24-/m0/s1
Standard InChI Key	ALLKNPPYWMKFOY-LNJFAXJLSA-N
Compound Complexity	791.00
computational chemistry	Hydrogen Bond Acceptor Count：5 Hydrogen Bond Donor Count：1 Rotatable Bond Count：6 Heavy Atom Count：30 Total Chiral Atom Count：7 Defined Chiral Atom Count：7 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：436.2016518