(1S,2R,3R,4S,5R,8R,9R,10R,13R,14R,16S,17S,18R)-4-(2,3-dimethoxyphenyl)-11-ethyl-5,14-dihydroxy-16,18-dimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-8-yl acetate
AlkaPlorer ID: AK083398
Synonym: None
IUPAC Name: [(1S,2R,3R,4S,5R,8R,9R,10R,13R,14R,16S,17S,18R)-4-(2,3-dimethoxyphenyl)-11-ethyl-5,14-dihydroxy-16,18-dimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-8-yl] acetate
Structure
SMILES: CCN1C[C@]2(COC)[C@H](O)C[C@H](OC)[C@@]34[C@@H]5C[C@]6(O)CC[C@@](OC(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/C34H49NO9/c1-8-35-16-31(17-39-3)22(37)14-23(41-5)34-20-15-32(38)12-13-33(44-18(2)36,26(30(34)35)28(43-7)29(31)34)25(20)24(32)19-10-9-11-21(40-4)27(19)42-6/h9-11,20,22-26,28-30,37-38H,8,12-17H2,1-7H3/t20-,22-,23+,24-,25-,26+,28+,29-,30-,31+,32-,33-,34+/m1/s1
InChIKey: ZOJXOLADFJIRJF-OLWFFFQLSA-N
Reference
The C19 -diterpenoid alkaloids from Aconitum falconeri
PubChem CID: 162922629
LOTUS: LTS0066236
SuperNatural Ⅲ: SN0475918-01
NPASS: NPC37779
Source
Properties Information
Molecule Weight: 615.7640000000002
TPSA？: 116.15000000000002
MolLogP？: 2.627800000000001
Number of H-Donors: 2
Number of H-Acceptors: 10
RingCount: 7
Activities Information
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