69819-82-5
AlkaPlorer ID: AK099567
Synonym: None
IUPAC Name: [(5aS,5bR,7aS,11aS,11bR,13S,13aR)-2,5b,8,8,11a,13a-hexamethyl-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(C)C=C3[C@]12C
InChI: InChI=1S/C28H41NO2/c1-18(30)31-24-15-23-26(4)13-8-12-25(2,3)21(26)11-14-27(23,5)22-10-9-19-16-29(7)17-20(19)28(22,24)6/h9-10,16-17,21-24H,8,11-15H2,1-7H3/t21-,22-,23+,24-,26-,27-,28-/m0/s1
InChIKey: IYASUOJSBNTBFH-SKNBCFTNSA-N
Reference
Minor pyrroloterpenoids from the marine spongeCacospongia mollior
PubChem CID: 162873682
LOTUS: LTS0148918
SuperNatural Ⅲ: SN0158372-03
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Cacospongia mollior | Cacospongia | Thorectidae | Dictyoceratida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 423.6410000000001
TPSA？: 31.23
MolLogP？: 6.510100000000008
Number of H-Donors: 0
Number of H-Acceptors: 3
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|