(1S,2R,4aS,8S,8aS)-8-[(2R,5S)-5-(2-isocyanopropan-2-yl)-2-methyloxolan-2-yl]-1-isothiocyanato-2-methyl-5-methylidene-octahydronaphthalen-2-ol
AlkaPlorer ID: AK349782
Synonym: None
IUPAC Name: (1R,2R,4aS,8S,8aS)-8-[(2R,5S)-5-(2-isocyanopropan-2-yl)-2-methyloxolan-2-yl]-1-isothiocyanato-2-methyl-5-methylidene-1,3,4,4a,6,7,8,8a-octahydronaphthalen-2-ol
Structure
SMILES: [C-]#[N+]C(C)(C)[C@@H]1CC[C@](C)([C@H]2CCC(=C)[C@H]3CC[C@@](C)(O)[C@H](N=C=S)[C@@H]32)O1
InChI: InChI=1S/C22H32N2O2S/c1-14-7-8-16(22(5)12-10-17(26-22)20(2,3)23-6)18-15(14)9-11-21(4,25)19(18)24-13-27/h15-19,25H,1,7-12H2,2-5H3/t15-,16+,17+,18+,19-,21-,22-/m1/s1
InChIKey: BXMRJMKBQXYFMX-YHTKHXHBSA-N
Reference
New Diterpene Isonitriles from the Sponge <i>Phakellia pulcherrima</i>
PubChem CID: 10596448
LOTUS: LTS0211596
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Acanthella pulcherrima | Acanthella | Axinellidae | Axinellida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 388.57700000000006
TPSA？: 46.18000000000001
MolLogP？: 4.836790000000006
Number of H-Donors: 1
Number of H-Acceptors: 4
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|