(1R,2S,3S,4S,5R,6S,7S,8S,9R,10R,13R,14R,16R,17R,18R)-4-benzoyl-11-ethyl-2,5,7,8-tetrahydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-14-yl acetate
AlkaPlorer ID: AK387300
Synonym: None
IUPAC Name: [(1R,2S,3S,4S,5R,6S,7S,8S,9R,10R,13R,14R,16R,17R,18R)-4-benzoyl-11-ethyl-2,5,7,8-tetrahydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-14-yl] acetate
Structure
SMILES: CCN1C[C@@]2(COC)[C@H]3[C@@H](OC)[C@H]4[C@@H]1[C@]3([C@H](OC)C[C@H]2OC(C)=O)[C@]1(O)C[C@]2(O)[C@@H](OC)[C@H](O)[C@@]4(O)[C@H]1[C@@H]2C(=O)C1=CC=CC=C1
InChI: InChI=1S/C34H47NO11/c1-7-35-15-30(16-42-3)19(46-17(2)36)13-20(43-4)33-26(30)24(44-5)22(27(33)35)34(41)25-21(23(37)18-11-9-8-10-12-18)31(39,14-32(25,33)40)29(45-6)28(34)38/h8-12,19-22,24-29,38-41H,7,13-16H2,1-6H3/t19-,20-,21+,22+,24+,25+,26-,27-,28+,29+,30+,31-,32+,33-,34+/m1/s1
InChIKey: GGHMHFVQNSKFFD-NWVDYVGVSA-N
Reference
Studies on the Alkaloids from Aconitum Polyschistum Hand-Mazz. Part II.
PubChem CID: 163188925
LOTUS: LTS0102708
SuperNatural Ⅲ: SN0104968-03
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aconitum polyschistum | Aconitum | Ranunculaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 645.7460000000003
TPSA？: 164.45000000000002
MolLogP？: 0.036500000000005
Number of H-Donors: 4
Number of H-Acceptors: 12
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|