Cardiodine
AlkaPlorer ID: AK005198
Synonym: None
IUPAC Name: [(1R,5R,8R,9R,11S,13R,14R,16S,17R,18S,19R)-11,16,19-trihydroxy-5-methyl-12-methylidene-7-azaheptacyclo[9.6.2.01,8.05,17.07,16.09,14.014,18]nonadecan-13-yl] 2-methylpropanoate
Structure
SMILES: CC(C)C(=O)O[C@H]1C(=C)[C@]2(C[C@@H]3[C@@]14C[C@@]5([C@@H]6[C@]7(CCC[C@]6([C@@H]4[C@H]2O)[C@@H]3N5C7)C)O)O
InChI: InChI=1S/C24H33NO5/c1-11(2)18(27)30-17-12(3)23(28)8-13-15-21-7-5-6-20(4)10-25(15)24(29,19(20)21)9-22(13,17)14(21)16(23)26/h11,13-17,19,26,28-29H,3,5-10H2,1-2,4H3/t13-,14-,15+,16+,17-,19+,20-,21-,22+,23-,24-/m0/s1
InChIKey: XSDJVVZNKHIOBC-RVPDCARASA-N
Source
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Properties Information
Molecule Weight: 415.5300000000001
TPSA？: 90.23
MolLogP？: 1.4349999999999996
Number of H-Donors: 3
Number of H-Acceptors: 6
RingCount: 9
Activities Information
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