(1R,2R,3R,4S,5R,6S,8R,9S,10S,13R,14R,17S,18S)-11-ethyl-8,9,14-trihydroxy-6,18-dimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-4-yl benzoate
AlkaPlorer ID: AK211609
Synonym: None
IUPAC Name: [(1R,2R,3R,4S,5R,6S,8R,9S,10S,13R,14R,17S,18S)-11-ethyl-8,9,14-trihydroxy-6,18-dimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] benzoate
Structure
SMILES: CCN1C[C@]2(COC)[C@H](O)CC[C@@]34[C@@H]5C[C@H]6[C@H](OC(=O)C7=CC=CC=C7)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@](O)([C@@H](OC)[C@H]23)[C@@H]14
InChI: InChI=1S/C31H43NO8/c1-5-32-15-28(16-37-2)21(33)11-12-29-19-13-18-20(38-3)14-30(35,31(36,27(29)32)25(39-4)24(28)29)22(19)23(18)40-26(34)17-9-7-6-8-10-17/h6-10,18-25,27,33,35-36H,5,11-16H2,1-4H3/t18-,19-,20+,21-,22-,23+,24-,25+,27+,28+,29-,30-,31-/m1/s1
InChIKey: GQKDKGIINSZEKK-LYMBRCBSSA-N
Reference
Alkaloids of Delphinium biternatum
PubChem CID: 163020977
LOTUS: LTS0050586
SuperNatural Ⅲ: SN0112614-01
NPASS: NPC236575
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Mucuna pruriens | Mucuna | Fabaceae | Fabales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Phalaris arundinacea | Phalaris | Poaceae | Poales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 557.6840000000002
TPSA？: 117.92000000000002
MolLogP？: 1.4816
Number of H-Donors: 3
Number of H-Acceptors: 9
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|