(1S)-1-[(1S,2S,5S,7S,10R,11S,14S,15S,16S,17S)-5,11,16,17-tetrahydroxy-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-14-yl]ethyl pyridine-3-carboxylate
AlkaPlorer ID: AK587243
Synonym: None
IUPAC Name: 1-(3,11,12,14-tetrahydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl)ethyl pyridine-3-carboxylate
Structure
SMILES: CC(OC(=O)C1=CC=CN=C1)C1CCC2(O)C3CCC4CC(O)CCC4(C)C3C(O)C(O)C12C
InChI: InChI=1S/C27H39NO6/c1-15(34-24(32)16-5-4-12-28-14-16)19-9-11-27(33)20-7-6-17-13-18(29)8-10-25(17,2)21(20)22(30)23(31)26(19,27)3/h4-5,12,14-15,17-23,29-31,33H,6-11,13H2,1-3H3
InChIKey: YXVMXCMMJVQPPS-UHFFFAOYSA-N
Reference
ChemInform Abstract: ALKALOIDE AUS CORTEX CONDURANGO (MARSDENIA CUNDURANGO REICHENB. FIL.)
PubChem CID: 71438448
LOTUS: LTS0081921
COCONUT: CNP0196906.1
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Marsdenia cundurango | Marsdenia | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 473.6100000000002
TPSA？: 120.11
MolLogP？: 2.7032000000000007
Number of H-Donors: 4
Number of H-Acceptors: 7
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|