(3S,6'R,7'S,8'aS)-7'-(1,3-dimethoxy-3-oxoprop-1-en-2-yl)-6'-ethyl-2-oxo-3',5',6',7',8',8'a-hexahydro-1H,2'H-spiro[indole-3,1'-indolizin]-4'-ium-4'-olate
AlkaPlorer ID: AK539969
Synonym: None
IUPAC Name: methyl (E)-2-[(3R,6'R,7'S,8'aS)-6'-ethyl-4'-oxido-2-oxospiro[1H-indole-3,1'-3,5,6,7,8,8a-hexahydro-2H-indolizin-4-ium]-7'-yl]-3-methoxyprop-2-enoate
Structure
SMILES: CC[C@H]1C[N+]2([O-])CC[C@]3(C(=O)NC4=CC=CC=C43)[C@@H]2C[C@@H]1/C(=C\OC)C(=O)OC
InChI: InChI=1S/C22H28N2O5/c1-4-14-12-24(27)10-9-22(17-7-5-6-8-18(17)23-21(22)26)19(24)11-15(14)16(13-28-2)20(25)29-3/h5-8,13-15,19H,4,9-12H2,1-3H3,(H,23,26)/b16-13+/t14-,15-,19-,22+,24?/m0/s1
InChIKey: UQZWROIYWUBTCH-JYKZDLLSSA-N
Reference
PubChem CID: 101491696
Source
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Properties Information
Molecule Weight: 400.47500000000025
TPSA？: 87.69000000000001
MolLogP？: 2.7128000000000005
Number of H-Donors: 1
Number of H-Acceptors: 5
RingCount: 4
Activities Information
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