rel-sodium 2-((1s,4r,5as,5br,7as,11as,11br,13r,13as)-13-acetoxy-1,4-dimethoxy-5b,8,8,11a,13a-pentamethyl-3-oxo-5,5a,6,7,7a,8,9,10,11,11a,11b,12,13,13a-tetradecahydro-1h-phenanthro[2,1-e]isoindol-2(3h,
AlkaPlorer ID: AK320658
Synonym: None
IUPAC Name: 2-(13-acetyloxy-1,4-dimethoxy-5b,8,8,11a,13a-pentamethyl-3-oxo-4,5,5a,6,7,7a,9,10,11,11b,12,13-dodecahydro-1H-phenanthro[2,1-e]isoindol-2-yl)acetic acid
Structure
SMILES: COC1CC2C3(C)CCC4C(C)(C)CCCC4(C)C3CC(OC(C)=O)C2(C)C2=C1C(=O)N(CC(=O)O)C2OC
InChI: InChI=1S/C31H47NO7/c1-17(33)39-22-15-20-29(4)12-9-11-28(2,3)19(29)10-13-30(20,5)21-14-18(37-7)24-25(31(21,22)6)27(38-8)32(26(24)36)16-23(34)35/h18-22,27H,9-16H2,1-8H3,(H,34,35)
InChIKey: QLJSXEAEXPZDDV-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Hyattella | Spongiidae | Dictyoceratida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 545.7170000000003
TPSA？: 102.37
MolLogP？: 4.807800000000004
Number of H-Donors: 1
Number of H-Acceptors: 6
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|