Pseudaconine
AlkaPlorer ID: AK012640
Synonym: ''
IUPAC Name: (2R,3R,5R,6S,8R,10R,17S)-11-ethyl-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-4,5,8,14-tetrol
Structure
SMILES: CCN1CC2(COC)C(O)CC(OC)C34[C@@H]5C[C@@]6(O)C(O)[C@@H]5[C@](O)(C[C@@H]6OC)C(C(OC)[C@H]23)[C@@H]14
InChI: InChI=1S/C25H41NO8/c1-6-26-10-22(11-31-2)13(27)7-14(32-3)25-12-8-23(29)15(33-4)9-24(30,16(12)21(23)28)17(20(25)26)18(34-5)19(22)25/h12-21,27-30H,6-11H2,1-5H3/t12-,13?,14?,15+,16-,17?,18?,19-,20-,21?,22?,23+,24-,25?/m1/s1
InChIKey: WZGCQIYOKDLWMF-QTIOXICHSA-N
Source
Properties Information
Molecule Weight: 483.60200000000015
TPSA？: 121.08000000000004
MolLogP？: -0.7581999999999958
Number of H-Donors: 4
Number of H-Acceptors: 9
RingCount: 6
Activities Information
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