(7E)-1,1,4a,8-tetramethyl-7-({[3-(methylamino)propanoyl]oxy}methylidene)-9-oxo-tetradecahydrophenanthren-2-yl 3-hydroxy-3-methylbutanoate
AlkaPlorer ID: AK319328
Synonym: None
IUPAC Name: [(2S,4aR,7Z)-1,1,4a,8-tetramethyl-7-[3-(methylamino)propanoyloxymethylidene]-9-oxo-2,3,4,4b,5,6,8,8a,10,10a-decahydrophenanthren-2-yl] 3-hydroxy-3-methylbutanoate
Structure
SMILES: CNCCC(=O)O/C=C1/CCC2C(C(=O)CC3C(C)(C)[C@@H](OC(=O)CC(C)(C)O)CC[C@]23C)C1C
InChI: InChI=1S/C28H45NO6/c1-17-18(16-34-23(31)11-13-29-7)8-9-19-25(17)20(30)14-21-27(4,5)22(10-12-28(19,21)6)35-24(32)15-26(2,3)33/h16-17,19,21-22,25,29,33H,8-15H2,1-7H3/b18-16-/t17?,19?,21?,22-,25?,28+/m0/s1
InChIKey: IKKLVQWYZKTIQO-JRWIOLARSA-N
Source
Properties Information
Molecule Weight: 491.6690000000003
TPSA？: 101.93
MolLogP？: 4.173400000000003
Number of H-Donors: 2
Number of H-Acceptors: 7
RingCount: 3
Activities Information
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