1-hydroxyprotostemonine, (rel)-
AlkaPlorer ID: AK057806
Synonym: '1-hydroxyprotostemonine', '(5Z)-5-{(1S,3aR,8S,10R,10aR,10bR)-10-Hydroxy-1-methyl-8-(2S,4S)-4-methyl-5-oxotetrahydro-2-furanyldecahydro-2H-furo3,2-cpyrrolo1,2-aazepin-2-ylidene}-4-methoxy-3-methyl-2(5H)-furanone'
IUPAC Name: (5E)-5-[(1R,2R,3S,6R,11S,13R)-13-hydroxy-3-methyl-11-[(2S,4S)-4-methyl-5-oxooxolan-2-yl]-5-oxa-10-azatricyclo[8.3.0.02,6]tridecan-4-ylidene]-4-methoxy-3-methylfuran-2-one
Structure
SMILES: COC1=C(C)C(=O)O/C1=C1/O[C@@H]2CCCN3[C@H]([C@H]2[C@@H]1C)[C@H](O)C[C@H]3[C@@H]1C[C@H](C)C(=O)O1
InChI: InChI=1S/C23H31NO7/c1-10-8-16(30-22(10)26)13-9-14(25)18-17-11(2)20(29-15(17)6-5-7-24(13)18)21-19(28-4)12(3)23(27)31-21/h10-11,13-18,25H,5-9H2,1-4H3/b21-20+/t10-,11-,13-,14+,15+,16-,17-,18-/m0/s1
InChIKey: PVVXZVZMHFPXJR-IJFFTIOTSA-N
Source
Properties Information
Molecule Weight: 433.5010000000002
TPSA？: 94.53000000000002
MolLogP？: 1.8755
Number of H-Donors: 1
Number of H-Acceptors: 8
RingCount: 5
Activities Information
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