1'-methyl-N-(2-methylbenzyl)-9'-oxo-8',9'-dihydrospiro[cycloheptane-1,7'-furo[3,2-f]chromene]-2'-carboxamide
AlkaPlorer ID: AK424939
Synonym: None
IUPAC Name: 1-methyl-N-[(2-methylphenyl)methyl]-9-oxospiro[8H-furo[3,2-f]chromene-7,1'-cycloheptane]-2-carboxamide
Structure
SMILES: CC1=CC=CC=C1CNC(=O)C1=C(C)C2=C3C(=O)CC4(CCCCCC4)OC3=CC=C2O1
InChI: InChI=1S/C27H29NO4/c1-17-9-5-6-10-19(17)16-28-26(30)25-18(2)23-21(31-25)11-12-22-24(23)20(29)15-27(32-22)13-7-3-4-8-14-27/h5-6,9-12H,3-4,7-8,13-16H2,1-2H3,(H,28,30)
InChIKey: JPTRUVJZWKLDMU-UHFFFAOYSA-N
Reference
Cassane Furanoditerpenoids from the Seed Kernels of <i>Caesalpinia bonduc</i> from Thailand
PubChem CID: 22511400
Source
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Properties Information
Molecule Weight: 431.5320000000003
TPSA？: 68.54
MolLogP？: 6.037840000000005
Number of H-Donors: 1
Number of H-Acceptors: 4
RingCount: 5
Activities Information
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