Faleoconitine
AlkaPlorer ID: AK181791
Synonym: ''
IUPAC Name: [(1S,2R,3R,4R,5S,6S,8R,9R,10R,13R,14R,16S,17S,18R)-8-acetyloxy-11-formyl-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: COC[C@]12CN(C=O)[C@@H]3[C@@H]4[C@H](OC)[C@H]1[C@@]3([C@@H](OC)C[C@H]2O)[C@@H]1C[C@]2(O)[C@@H](OC)C[C@@]4(OC(C)=O)[C@H]1[C@H]2OC(=O)C1=CC=C(OC)C(OC)=C1
InChI: InChI=1S/C35H47NO13/c1-17(38)49-34-13-24(46-6)33(41)12-19(25(34)30(33)48-31(40)18-8-9-20(43-3)21(10-18)44-4)35-23(45-5)11-22(39)32(15-42-2)14-36(16-37)29(35)26(34)27(47-7)28(32)35/h8-10,16,19,22-30,39,41H,11-15H2,1-7H3/t19-,22-,23+,24+,25-,26+,27+,28-,29-,30-,32+,33+,34-,35+/m1/s1
InChIKey: RIFDYFATSFADDY-NRJUAHOSSA-N
Reference
New Norditerpenoid Alkaloids from<i>Aconitum falconeri</i>
PubChem CID: 101063436
LOTUS: LTS0034239
SuperNatural Ⅲ: SN0326062-02
NPASS: NPC285373
Source
Properties Information
Molecule Weight: 689.7550000000002
TPSA？: 168.74999999999997
MolLogP？: 0.8310000000000057
Number of H-Donors: 2
Number of H-Acceptors: 13
RingCount: 7
Activities Information
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