Nervosine VI; 7a-Epimer
AlkaPlorer ID: AK307664
Synonym: Nervosine IX
IUPAC Name: 2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylmethyl 2,2-dimethyl-8-(3-methylbut-2-enyl)chromene-6-carboxylate
Structure
SMILES: CC(C)=CCC1=CC(C(=O)OCC2CCN3CCCC23)=CC2=C1OC(C)(C)C=C2
InChI: InChI=1S/C25H33NO3/c1-17(2)7-8-18-14-21(15-19-9-11-25(3,4)29-23(18)19)24(27)28-16-20-10-13-26-12-5-6-22(20)26/h7,9,11,14-15,20,22H,5-6,8,10,12-13,16H2,1-4H3
InChIKey: QPMVCCHCSFGJML-UHFFFAOYSA-N
Reference
Source
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Properties Information
Molecule Weight: 395.5430000000001
TPSA？: 38.77
MolLogP？: 5.020600000000005
Number of H-Donors: 0
Number of H-Acceptors: 4
RingCount: 4
Activities Information
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