vinervine
AlkaPlorer ID: AK058424
Synonym: 'Methyl(15beta,19E)-12-hydroxy-2,16-didehydrocur-19-en-17-oate'
IUPAC Name: methyl (1R,11S,12E,17S)-12-ethylidene-6-hydroxy-8,14-diazapentacyclo[9.5.2.01,9.02,7.014,17]octadeca-2(7),3,5,9-tetraene-10-carboxylate
Structure
SMILES: C/C=C1/CN2CC[C@]34C(=C(C(=O)OC)[C@H]1C[C@H]23)NC1=C(O)C=CC=C14
InChI: InChI=1S/C20H22N2O3/c1-3-11-10-22-8-7-20-13-5-4-6-14(23)17(13)21-18(20)16(19(24)25-2)12(11)9-15(20)22/h3-6,12,15,21,23H,7-10H2,1-2H3/b11-3-/t12-,15-,20+/m0/s1
InChIKey: FAJVFJABOWWACZ-GGGKWMOSSA-N
Source
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Properties Information
Molecule Weight: 338.40700000000004
TPSA？: 61.8
MolLogP？: 2.5367
Number of H-Donors: 2
Number of H-Acceptors: 5
RingCount: 5
Activities Information
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