(1S,2S,5S,7S,10R,11S,14S,15S,16S,17S)-16-(acetyloxy)-5,11-dihydroxy-14-[(1S)-1-hydroxyethyl]-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-17-yl pyridine-3-carboxylate
AlkaPlorer ID: AK357983
Synonym: None
IUPAC Name: [12-acetyloxy-3,14-dihydroxy-17-(1-hydroxyethyl)-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-11-yl] pyridine-3-carboxylate
Structure
SMILES: CC(=O)OC1C(OC(=O)C2=CC=CN=C2)C2C(CCC3CC(O)CCC32C)C2(O)CCC(C(C)O)C12C
InChI: InChI=1S/C29H41NO7/c1-16(31)21-10-12-29(35)22-8-7-19-14-20(33)9-11-27(19,3)23(22)24(25(28(21,29)4)36-17(2)32)37-26(34)18-6-5-13-30-15-18/h5-6,13,15-16,19-25,31,33,35H,7-12,14H2,1-4H3
InChIKey: CQNYSPSUCSXRLG-UHFFFAOYSA-N
Reference
ChemInform Abstract: ALKALOIDE AUS CORTEX CONDURANGO (MARSDENIA CUNDURANGO REICHENB. FIL.)
PubChem CID: 162902079
LOTUS: LTS0254122
COCONUT: CNP0170246.1
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Marsdenia cundurango | Marsdenia | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 515.6470000000004
TPSA？: 126.18000000000002
MolLogP？: 3.274000000000002
Number of H-Donors: 3
Number of H-Acceptors: 8
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|