(1S,2R,5S,10S,11S,13R,14R,15S)-2,15-dimethyl-14-[(1R)-1-[(5R)-5-methyl-3,4,5,6-tetrahydropyridin-2-yl]ethyl]tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-7-ene-5,13-diol
AlkaPlorer ID: AK196383
Synonym: None
IUPAC Name: (3S,8S,9S,10R,13S,14S,16R,17R)-10,13-dimethyl-17-[(1R)-1-[(3R)-3-methyl-2,3,4,5-tetrahydropyridin-6-yl]ethyl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,16-diol
Structure
SMILES: C[C@@H]1CCC([C@H](C)[C@H]2[C@H](O)C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)=NC1
InChI: InChI=1S/C27H43NO2/c1-16-5-8-23(28-15-16)17(2)25-24(30)14-22-20-7-6-18-13-19(29)9-11-26(18,3)21(20)10-12-27(22,25)4/h6,16-17,19-22,24-25,29-30H,5,7-15H2,1-4H3/t16-,17+,19+,20-,21+,22+,24-,25+,26+,27+/m1/s1
InChIKey: JMSRDKIFVZVAMX-YWIAOGNGSA-N
Reference
22,26-epiminocholestane alkaloids with unusual (20R)-configurations from Solanum species
PubChem CID: 101695783
LOTUS: LTS0181206
SuperNatural Ⅲ: SN0169647-05
NPASS: NPC196162
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Quercus petraea | Quercus | Fagaceae | Fagales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Methylomonas methanica | Methylomonas | Methylococcaceae | Methylococcales | Gammaproteobacteria | Pseudomonadota | None | Bacteria |
Properties Information
Molecule Weight: 413.6460000000003
TPSA？: 52.82
MolLogP？: 5.404100000000006
Number of H-Donors: 2
Number of H-Acceptors: 3
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|