(1R,2S,10S,11R,13R,14S,19S)-1,10,14,18,18-pentamethyl-7-(2-phenylethyl)-7-azapentacyclo[11.8.0.0²,¹⁰.0⁵,⁹.0¹⁴,¹⁹]henicosa-3,5,8-trien-11-yl acetate
AlkaPlorer ID: AK473936
Synonym: None
IUPAC Name: [5b,8,8,11a,13a-pentamethyl-2-(2-phenylethyl)-5a,6,7,7a,9,10,11,11b,12,13-decahydrophenanthro[2,1-e]isoindol-13-yl] acetate
Structure
SMILES: CC(=O)OC1CC2C3(C)CCCC(C)(C)C3CCC2(C)C2C=CC3=CN(CCC4=CC=CC=C4)C=C3C12C
InChI: InChI=1S/C35H47NO2/c1-24(37)38-31-21-30-33(4)18-10-17-32(2,3)28(33)15-19-34(30,5)29-14-13-26-22-36(23-27(26)35(29,31)6)20-16-25-11-8-7-9-12-25/h7-9,11-14,22-23,28-31H,10,15-21H2,1-6H3
InChIKey: NZEVPQVCEJZYGO-UHFFFAOYSA-N
Reference
Minor pyrroloterpenoids from the marine spongeCacospongia mollior
PubChem CID: 23424999
LOTUS: LTS0255665
COCONUT: CNP0182306.2
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Cacospongia mollior | Cacospongia | Thorectidae | Dictyoceratida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 513.7660000000002
TPSA？: 31.23
MolLogP？: 8.215800000000009
Number of H-Donors: 0
Number of H-Acceptors: 3
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|