2-(dimethylamino)ethyl 2-[(2E)-8-(acetyloxy)-7-hydroxy-1,4b,8-trimethyl-10-oxo-tetradecahydrophenanthren-2-ylidene]acetate
AlkaPlorer ID: AK319080
Synonym: None
IUPAC Name: 2-(dimethylamino)ethyl (2Z)-2-[(1R,4bR,7S,8R,8aR,10aS)-8-acetyloxy-7-hydroxy-1,4b,8-trimethyl-10-oxo-1,3,4,4a,5,6,7,8a,9,10a-decahydrophenanthren-2-ylidene]acetate
Structure
SMILES: CC(=O)O[C@@]1(C)[C@@H](O)CC[C@]2(C)C3CC/C(=C/C(=O)OCCN(C)C)[C@H](C)[C@@H]3C(=O)C[C@@H]12
InChI: InChI=1S/C25H39NO6/c1-15-17(13-22(30)31-12-11-26(5)6)7-8-18-23(15)19(28)14-20-24(18,3)10-9-21(29)25(20,4)32-16(2)27/h13,15,18,20-21,23,29H,7-12,14H2,1-6H3/b17-13-/t15-,18?,20+,21-,23-,24+,25+/m0/s1
InChIKey: VSOOIUBBPUOYRM-WEYFELTASA-N
Source
Properties Information
Molecule Weight: 449.58800000000025
TPSA？: 93.14
MolLogP？: 2.7517000000000014
Number of H-Donors: 1
Number of H-Acceptors: 7
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|