Spegazzinine
AlkaPlorer ID: AK002535
Synonym: None
IUPAC Name: 1-[(1S,9S,10S,12R,19R)-12-ethyl-6,10-dihydroxy-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5-trien-8-yl]ethanone
Structure
SMILES: CC[C@]12CCCN3[C@H]1[C@@]4(CC3)[C@@H]([C@H](C2)O)N(C5=C4C=CC=C5O)C(=O)C
InChI: InChI=1S/C21H28N2O3/c1-3-20-8-5-10-22-11-9-21(19(20)22)14-6-4-7-15(25)17(14)23(13(2)24)18(21)16(26)12-20/h4,6-7,16,18-19,25-26H,3,5,8-12H2,1-2H3/t16-,18+,19+,20+,21+/m0/s1
InChIKey: RQFIKBUKOZJEMU-OUJGAGHGSA-N
Source
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Properties Information
Molecule Weight: 356.46600000000007
TPSA？: 64.00999999999999
MolLogP？: 2.3942000000000005
Number of H-Donors: 2
Number of H-Acceptors: 4
RingCount: 5
Activities Information
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