(1S,2R,5S,7S,10S,11R,14R,15S)-5-hydroxy-14-[(1R)-1-(3-hydroxy-5-methylpyridin-2-yl)ethyl]-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-8-one
AlkaPlorer ID: AK468396
Synonym: None
IUPAC Name: 3-hydroxy-17-[1-(3-hydroxy-5-methylpyridin-2-yl)ethyl]-10,13-dimethyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one
Structure
SMILES: CC1=CN=C(C(C)C2CCC3C4CC(=O)C5CC(O)CCC5(C)C4CCC23C)C(O)=C1
InChI: InChI=1S/C27H39NO3/c1-15-11-24(31)25(28-14-15)16(2)19-5-6-20-18-13-23(30)22-12-17(29)7-9-27(22,4)21(18)8-10-26(19,20)3/h11,14,16-22,29,31H,5-10,12-13H2,1-4H3
InChIKey: NMHCTUTYNGBHMC-UHFFFAOYSA-N
Reference
New class of steroidal alkaloids from Fritillaria imperialis
PubChem CID: 162966835
CAS: 178494-88-7
LOTUS: LTS0115419
COCONUT: CNP0238226.6
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Fritillaria raddeana | Fritillaria | Liliaceae | Liliales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 425.6130000000003
TPSA？: 70.42
MolLogP？: 5.397920000000006
Number of H-Donors: 2
Number of H-Acceptors: 4
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|