(1R,2R,4aS,5S,8R,8aR)-1,5-diisocyano-2,5-dimethyl-8-[(2R)-6-methylhept-5-en-2-yl]-octahydronaphthalen-2-ol
AlkaPlorer ID: AK386426
Synonym: None
IUPAC Name: (1R,2R,4aS,5S,8R,8aR)-1,5-diisocyano-2,5-dimethyl-8-(6-methylhept-5-en-2-yl)-1,3,4,4a,6,7,8,8a-octahydronaphthalen-2-ol
Structure
SMILES: [C-]#[N+][C@@H]1[C@@H]2[C@@H](C(C)CCC=C(C)C)CC[C@](C)([N+]#[C-])[C@H]2CC[C@@]1(C)O
InChI: InChI=1S/C22H34N2O/c1-15(2)9-8-10-16(3)17-11-13-21(4,24-7)18-12-14-22(5,25)20(23-6)19(17)18/h9,16-20,25H,8,10-14H2,1-5H3/t16?,17-,18+,19-,20-,21+,22-/m1/s1
InChIKey: GEFAJRYHQRMTCY-DDHAUIMMSA-N
Reference
New Diterpene Isonitriles from the Sponge <i>Phakellia pulcherrima</i>
PubChem CID: 10569341
LOTUS: LTS0033421
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Acanthella pulcherrima | Acanthella | Axinellidae | Axinellida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 342.5270000000001
TPSA？: 28.950000000000003
MolLogP？: 5.521980000000007
Number of H-Donors: 1
Number of H-Acceptors: 1
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|