11-ethyl-8-hydroxy-13-(hydroxymethyl)-6,16-dimethoxy-11-azahexacyclo[7.7.2.1²,?.0¹,¹?.0³,?.0¹³,¹?]nonadecan-4-yl acetate
AlkaPlorer ID: AK118048
Synonym: None
IUPAC Name: [(1R,2S,3S,4R,5S,6R,8R,9R,10S,13R,16R,17S)-11-ethyl-8-hydroxy-13-(hydroxymethyl)-6,16-dimethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] acetate
Structure
SMILES: CCN1C[C@@]2(CO)CC[C@@H](OC)[C@@]34[C@@H]1[C@@H](C[C@@H]23)[C@]1(O)C[C@@H](OC)[C@@H]2C[C@H]4[C@H]1[C@@H]2OC(C)=O
InChI: InChI=1S/C25H39NO6/c1-5-26-11-23(12-27)7-6-19(31-4)25-15-8-14-17(30-3)10-24(29,16(22(25)26)9-18(23)25)20(15)21(14)32-13(2)28/h14-22,27,29H,5-12H2,1-4H3/t14-,15-,16+,17+,18-,19+,20-,21+,22-,23+,24+,25-/m0/s1
InChIKey: UHNPYKHYGFRMJT-QDTGDTMISA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Erica australis | Erica | Ericaceae | Ericales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Pinus mugo | Pinus | Pinaceae | Pinales | Pinopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 449.58800000000025
TPSA？: 88.46000000000001
MolLogP？: 1.4478999999999995
Number of H-Donors: 2
Number of H-Acceptors: 7
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|