Cespitulactam I
AlkaPlorer ID: AK322252
Synonym: None
IUPAC Name: 5,16-dihydroxy-3,17,17-trimethyl-7-methylidene-15-azatricyclo[8.5.2.013,16]heptadec-1-en-14-one
Structure
SMILES: C=C1CCC2CCC3C(O)=NC(=CC(C)CC(O)C1)C3(O)C2(C)C
InChI: InChI=1S/C20H31NO3/c1-12-5-6-14-7-8-16-18(23)21-17(20(16,24)19(14,3)4)11-13(2)10-15(22)9-12/h11,13-16,22,24H,1,5-10H2,2-4H3,(H,21,23)
InChIKey: XOASOLHOOJVMAH-UHFFFAOYSA-N
Source
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Properties Information
Molecule Weight: 333.4720000000001
TPSA？: 73.05000000000001
MolLogP？: 3.751100000000002
Number of H-Donors: 3
Number of H-Acceptors: 3
RingCount: 3
Activities Information
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