70022-71-8
AlkaPlorer ID: AK099669
Synonym: None
IUPAC Name: [(5aS,5bR,7aS,11aS,11bR,13S,13aR)-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)O[C@H]1C[C@@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3CC[C@@]2(C)[C@@H]2C=CC3=CN(CCC4=CC=CC=C4)C=C3[C@]12C
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/t28-,29-,30+,31-,33-,34-,35-/m0/s1
InChIKey: NZEVPQVCEJZYGO-OPJQEATLSA-N
Reference
Minor pyrroloterpenoids from the marine spongeCacospongia mollior
PubChem CID: 162913255
LOTUS: LTS0129456
SuperNatural Ⅲ: SN0259157-03
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 |
|---|