(3S,4S,5R,8S,9S,10R,13S,14S,17S)-17-[(1S)-1-(dimethylamino)ethyl]-10,13-dimethyl-3-pentoxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-4-ol

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

	Common Name	(3S,4S,5R,8S,9S,10R,13S,14S,17S)-17-[(1S)-1-(dimethylamino)ethyl]-10,13-dimethyl-3-pentoxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-4-ol	English Name	(3S,4S,5R,8S,9S,10R,13S,14S,17S)-17-[(1S)-1-(dimethylamino)ethyl]-10,13-dimethyl-3-pentoxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-4-ol
	CAS NO.	N/A	Molecular Weight	433.7
	Density	N/A	Boiling Point	N/A
	Molecular Formula	C₂₈H₅₁NO₂	Melting Point	N/A
	MSDS	N/A	Flash Point	N/A
	Symbol	N/A	Signal Word	N/A

Properties

English Name	(3S,4S,5R,8S,9S,10R,13S,14S,17S)-17-[(1S)-1-(dimethylamino)ethyl]-10,13-dimethyl-3-pentoxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-4-ol

Molecular Formula	C28H51NO2
Molecular Weight	433.7
Exact Mass	433.391979870
LogP	7.10
Standard SMILES	CCCCCOC1CCC2(C)C(CCC3C2CCC2(C)C3CCC2C(C)N(C)C)C1O
Canonical SMILES	CCCCCOC1CCC2(C(C1O)CCC3C2CCC4(C3CCC4C(C)N(C)C)C)C
Isomeric SMILES	CCCCCO[C@H]1CC[C@]2([C@H]([C@@H]1O)CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4[C@H](C)N(C)C)C)C
Standard InChI Identifier	InChI=1S/C28H51NO2/c1-7-8-9-18-31-25-15-17-28(4)23-14-16-27(3)21(19(2)29(5)6)12-13-22(27)20(23)10-11-24(28)26(25)30/h19-26,30H,7-18H2,1-6H3/t19-,20-,21+,22-,23-,24-,25-,26-,27+,28+/m0/s1
Standard InChI Key	NIFQGFYHUSMBPX-YXFGMQORSA-N
Compound Complexity	608.00
computational chemistry	Hydrogen Bond Acceptor Count：3 Hydrogen Bond Donor Count：1 Rotatable Bond Count：7 Heavy Atom Count：31 Total Chiral Atom Count：10 Defined Chiral Atom Count：10 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：433.391979870