93474-14-7
AlkaPlorer ID: AK099592
Synonym: None
IUPAC Name: (3R,5S,9R,10S,13R,14S,17R)-17-[(E,2R)-4-(1,5-dimethyl-3,6-dihydro-2H-pyridin-4-yl)but-3-en-2-yl]-N,10,13-trimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-amine
Structure
SMILES: CN[C@@H]1CC[C@@]2(C)[C@@H](CC=C3[C@H]4CC[C@H]([C@H](C)/C=C/C5=C(C)CN(C)CC5)[C@@]4(C)CC[C@@H]32)C1
InChI: InChI=1S/C31H50N2/c1-21(7-8-23-15-18-33(6)20-22(23)2)27-11-12-28-26-10-9-24-19-25(32-5)13-16-30(24,3)29(26)14-17-31(27,28)4/h7-8,10,21,24-25,27-29,32H,9,11-20H2,1-6H3/b8-7+/t21-,24+,25-,27-,28-,29+,30+,31-/m1/s1
InChIKey: WYVDKLLQGBHWHH-AVMVHVBUSA-N
Source
Properties Information
Molecule Weight: 450.7550000000004
TPSA？: 15.27
MolLogP？: 6.997700000000009
Number of H-Donors: 1
Number of H-Acceptors: 2
RingCount: 5
Activities Information
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