None
AlkaPlorer ID: AK501672
Synonym: None
IUPAC Name: (1R,2R,4aS,8S,8aS)-1-isocyano-8-[(2R,5S)-5-(2-isocyanopropan-2-yl)-2-methyloxolan-2-yl]-2-methyl-5-methylidene-1,3,4,4a,6,7,8,8a-octahydronaphthalen-2-ol
Structure
SMILES: [C-]#[N+][C@@H]1[C@H]2[C@H](CC[C@@]1(C)O)C(=C)CC[C@@H]2[C@@]1(C)CC[C@@H](C(C)(C)[N+]#[C-])O1
InChI: InChI=1S/C22H32N2O2/c1-14-8-9-16(18-15(14)10-12-21(4,25)19(18)23-6)22(5)13-11-17(26-22)20(2,3)24-7/h15-19,25H,1,8-13H2,2-5H3/t15-,16+,17+,18+,19-,21-,22-/m1/s1
InChIKey: QLVOXIULTKFQOQ-YHTKHXHBSA-N
Reference
New Diterpene Isonitriles from the Sponge <i>Phakellia pulcherrima</i>
PubChem CID: 10594461
LOTUS: LTS0188974
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Acanthella pulcherrima | Acanthella | Axinellidae | Axinellida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 356.5100000000001
TPSA？: 38.18
MolLogP？: 4.653280000000004
Number of H-Donors: 1
Number of H-Acceptors: 2
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|