CID 441725
AlkaPlorer ID: AK000298
Synonym: None
IUPAC Name: (1S,2R,3R,4S,5S,6S,8R,9S,13S,16S,17R,18S)-11-ethyl-6,18-dimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-4,8,9,16-tetrol
Structure
SMILES: CCN1C[C@@]2(CC[C@@H]([C@@]34[C@@H]2[C@@H]([C@@](C31)([C@]5(C[C@@H]([C@H]6C[C@@H]4[C@@H]5[C@H]6O)OC)O)O)OC)O)COC
InChI: InChI=1S/C24H39NO7/c1-5-25-10-21(11-30-2)7-6-15(26)23-13-8-12-14(31-3)9-22(28,16(13)17(12)27)24(29,20(23)25)19(32-4)18(21)23/h12-20,26-29H,5-11H2,1-4H3/t12-,13-,14+,15+,16-,17+,18-,19+,20?,21+,22-,23+,24-/m1/s1
InChIKey: BMZNJVXOLCBDPZ-AXCJZLSHSA-N
Reference
New Norditerpenoid Alkaloids from the Leaves of Delphinium ajacis
PubChem CID: 441725
CAS: 545-56-2
Source
Properties Information
Molecule Weight: 453.5760000000002
TPSA？: 111.85000000000002
MolLogP？: -0.38309999999999755
Number of H-Donors: 4
Number of H-Acceptors: 8
RingCount: 6
Activities Information
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