(1S,2R,3R,4S,5R,8R,9R,10R,13R,14R,16S,17S,18R)-4-(2,3-dimethoxyphenyl)-11-ethyl-16,18-dimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecane-5,8,14-triol
AlkaPlorer ID: AK228467
Synonym: None
IUPAC Name: (1S,2R,3R,4S,5R,8R,9R,10R,13R,14R,16S,17S,18R)-4-(2,3-dimethoxyphenyl)-11-ethyl-16,18-dimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-5,8,14-triol
Structure
SMILES: CCN1C[C@]2(COC)[C@H](O)C[C@H](OC)[C@@]34[C@@H]5C[C@]6(O)CC[C@@](O)([C@H]5[C@H]6C5=CC=CC(OC)=C5OC)[C@@H]([C@H](OC)[C@H]23)[C@@H]14
InChI: InChI=1S/C32H47NO8/c1-7-33-15-29(16-37-2)20(34)13-21(39-4)32-18-14-30(35)11-12-31(36,24(28(32)33)26(41-6)27(29)32)23(18)22(30)17-9-8-10-19(38-3)25(17)40-5/h8-10,18,20-24,26-28,34-36H,7,11-16H2,1-6H3/t18-,20-,21+,22-,23-,24+,26+,27-,28-,29+,30-,31-,32+/m1/s1
InChIKey: OLGZCXJLBHNVSV-DDQVRILVSA-N
Reference
The C19 -diterpenoid alkaloids from Aconitum falconeri
PubChem CID: 163012755
LOTUS: LTS0246651
SuperNatural Ⅲ: SN0268600-01
NPASS: NPC87648
Source
Properties Information
Molecule Weight: 573.7270000000003
TPSA？: 110.08000000000004
MolLogP？: 2.057
Number of H-Donors: 3
Number of H-Acceptors: 9
RingCount: 7
Activities Information
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