(E)-N-[(5R,8R,9S,10R,13S)-17-[(1S)-1-(dimethylamino)ethyl]-10,13-dimethyl-4-oxo-1,5,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthren-3-yl]-2-methylbut-2-enamide

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

	Common Name	(E)-N-[(5R,8R,9S,10R,13S)-17-[(1S)-1-(dimethylamino)ethyl]-10,13-dimethyl-4-oxo-1,5,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthren-3-yl]-2-methylbut-2-enamide	English Name	(E)-N-[(5R,8R,9S,10R,13S)-17-[(1S)-1-(dimethylamino)ethyl]-10,13-dimethyl-4-oxo-1,5,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthren-3-yl]-2-methylbut-2-enamide
	CAS NO.	N/A	Molecular Weight	438.6
	Density	N/A	Boiling Point	N/A
	Molecular Formula	C₂₈H₄₂N₂O₂	Melting Point	N/A
	MSDS	N/A	Flash Point	N/A
	Symbol	N/A	Signal Word	N/A

Properties

English Name	(E)-N-[(5R,8R,9S,10R,13S)-17-[(1S)-1-(dimethylamino)ethyl]-10,13-dimethyl-4-oxo-1,5,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthren-3-yl]-2-methylbut-2-enamide

Molecular Formula	C28H42N2O2
Molecular Weight	438.6
Exact Mass	438.324628587
LogP	5.40
Standard SMILES	CC=C(C)C(=O)NC1=CCC2(C)C(CCC3C4CC=C(C(C)N(C)C)C4(C)CCC32)C1=O
Canonical SMILES	CC=C(C)C(=O)NC1=CCC2(C3CCC4(C(C3CCC2C1=O)CC=C4C(C)N(C)C)C)C
Isomeric SMILES	C/C=C(\C)/C(=O)NC1=CC[C@@]2([C@H]3CC[C@]4(C([C@@H]3CC[C@H]2C1=O)CC=C4[C@H](C)N(C)C)C)C
Standard InChI Identifier	InChI=1S/C28H42N2O2/c1-8-17(2)26(32)29-24-14-16-28(5)22-13-15-27(4)20(18(3)30(6)7)11-12-21(27)19(22)9-10-23(28)25(24)31/h8,11,14,18-19,21-23H,9-10,12-13,15-16H2,1-7H3,(H,29,32)/b17-8+/t18-,19-,21?,22-,23-,27+,28+/m0/s1
Standard InChI Key	QSIASPXMKRQPDR-UUUPMFNCSA-N
Compound Complexity	897.00
computational chemistry	Hydrogen Bond Acceptor Count：3 Hydrogen Bond Donor Count：1 Rotatable Bond Count：4 Heavy Atom Count：32 Total Chiral Atom Count：7 Defined Chiral Atom Count：6 Undefined Chiral Atom Count：1 Total Chiral Bond Count：1 Defined Chiral Bond Count：1 Undefined Chiral Bond Count：0 Isotope Atom Count：0 Covalent Unit Count：1 Tautomer Count：-1 Monoisotopic Mass：438.324628587