5-[1-(1-acetyl-3-hydroxy-5-methylpiperidin-2-yl)ethyl]-5-hydroxy-6,11-dimethyl-17-oxo-7-oxapentacyclo[8.8.0.0²,?.0?,?.0¹¹,¹?]octadecan-14-yl acetate
AlkaPlorer ID: AK222199
Synonym: None
IUPAC Name: [5-[1-(1-acetyl-3-hydroxy-5-methylpiperidin-2-yl)ethyl]-5-hydroxy-6,11-dimethyl-17-oxo-7-oxapentacyclo[8.8.0.02,8.06,8.011,16]octadecan-14-yl] acetate
Structure
SMILES: CC(=O)OC1CCC2(C)C(C1)C(=O)CC1C2CC23OC2(C)C(O)(C(C)C2C(O)CC(C)CN2C(C)=O)CCC13
InChI: InChI=1S/C31H47NO7/c1-16-11-26(36)27(32(15-16)18(3)33)17(2)30(37)10-8-22-21-13-25(35)23-12-20(38-19(4)34)7-9-28(23,5)24(21)14-31(22)29(30,6)39-31/h16-17,20-24,26-27,36-37H,7-15H2,1-6H3
InChIKey: FAVROMCJAISZSI-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Fritillaria thunbergii | Fritillaria | Liliaceae | Liliales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 545.7170000000002
TPSA？: 116.67000000000002
MolLogP？: 3.2561000000000018
Number of H-Donors: 2
Number of H-Acceptors: 7
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|