None
AlkaPlorer ID: AK581945
Synonym: None
IUPAC Name: [(1R,2R,5S)-8-[(2R)-5-(2-chloropropan-2-yl)-2-methyloxolan-2-yl]-2-hydroxy-2,5-dimethyl-5-methylidyneazaniumyl-1,3,4,4a,6,7,8,8a-octahydronaphthalen-1-yl]-methylidyneazanium
Structure
SMILES: C#[N+][C@@H]1C2C([C@@]3(C)CCC(C(C)(C)Cl)O3)CC[C@](C)([N+]#C)C2CC[C@@]1(C)O
InChI: InChI=1S/C22H35ClN2O2/c1-19(2,23)16-10-13-22(5,27-16)15-8-11-20(3,25-7)14-9-12-21(4,26)18(24-6)17(14)15/h6-7,14-18,26H,8-13H2,1-5H3/q+2/t14?,15?,16?,17?,18-,20+,21-,22-/m1/s1
InChIKey: YLLBODFFVLSPFD-WUTMYOKYSA-N
Reference
New Diterpene Isonitriles from the Sponge <i>Phakellia pulcherrima</i>
PubChem CID: 129906619
LOTUS: LTS0167148
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Acanthella pulcherrima | Acanthella | Axinellidae | Axinellida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 394.98700000000014
TPSA？: 38.18
MolLogP？: 5.181400000000006
Number of H-Donors: 1
Number of H-Acceptors: 2
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|