2-(dimethylamino)ethyl 2-[(1R,2E,4aS,4bR,8S,8aS,9R,10aR)-8-(acetyloxy)-9-hydroxy-1,8-dimethyl-10-oxo-decahydro-1H-phenanthren-2-ylidene]acetate
AlkaPlorer ID: AK070944
Synonym: None
IUPAC Name: 2-(dimethylamino)ethyl (2E)-2-[(1R,4aS,4bR,8S,8aS,9R,10aR)-8-acetyloxy-9-hydroxy-1,8-dimethyl-10-oxo-3,4,4a,4b,5,6,7,8a,9,10a-decahydro-1H-phenanthren-2-ylidene]acetate
Structure
SMILES: CC(=O)O[C@@]1(C)CCC[C@@H]2[C@@H]3CC/C(=C\C(=O)OCCN(C)C)[C@H](C)[C@@H]3C(=O)[C@H](O)[C@H]21
InChI: InChI=1S/C24H37NO6/c1-14-16(13-19(27)30-12-11-25(4)5)8-9-17-18-7-6-10-24(3,31-15(2)26)21(18)23(29)22(28)20(14)17/h13-14,17-18,20-21,23,29H,6-12H2,1-5H3/b16-13+/t14-,17-,18+,20-,21-,23+,24-/m0/s1
InChIKey: CGJJTGYWQKZZSF-LAIADWHTSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Erythrophleum suaveolens | Erythrophleum | Fabaceae | Fabales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 435.5610000000002
TPSA？: 93.14
MolLogP？: 2.3616
Number of H-Donors: 1
Number of H-Acceptors: 7
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|