Pseudoaconitine
AlkaPlorer ID: AK014271
Synonym: '', 'Pseudaconitine', 'Pseudoaconitine'
IUPAC Name: [(1S,2S,3S,4R,5R,6R,8S,9R,10R,13R,14S,16R,17S,18S)-8-acetyloxy-11-ethyl-5,14-dihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] 3,4-dimethoxybenzoate
Structure
SMILES: CCN1C[C@@]2(COC)[C@H]3[C@H](OC)[C@H]4[C@@H]1[C@]3([C@H](OC)C[C@@H]2O)[C@H]1C[C@]2(O)[C@H](OC(=O)C3=CC=C(OC)C(OC)=C3)[C@H]1[C@@]4(OC(C)=O)C[C@H]2OC
InChI: InChI=1S/C36H51NO12/c1-9-37-16-33(17-42-3)23(39)13-24(45-6)36-20-14-34(41)25(46-7)15-35(49-18(2)38,27(30(36)37)28(47-8)29(33)36)26(20)31(34)48-32(40)19-10-11-21(43-4)22(12-19)44-5/h10-12,20,23-31,39,41H,9,13-17H2,1-8H3/t20-,23-,24+,25+,26-,27-,28+,29+,30+,31+,33-,34+,35-,36-/m0/s1
InChIKey: YVPYMQHYESYLIR-LQOPVHPFSA-N
Source
Properties Information
Molecule Weight: 689.7990000000002
TPSA？: 151.68
MolLogP？: 1.6945000000000034
Number of H-Donors: 2
Number of H-Acceptors: 13
RingCount: 7
Activities Information
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