171370-56-2
AlkaPlorer ID: AK044966
Synonym: '171485-63-5', '171485-62-4'
IUPAC Name: N-[(1R,4R,4aR,8aS)-4-[(2S,5S)-5-chloro-2,6,6-trimethyloxan-2-yl]-1,6-dimethyl-3,4,4a,7,8,8a-hexahydro-2H-naphthalen-1-yl]formamide
Structure
SMILES: CC1=C[C@H]2[C@H]([C@]3(C)CC[C@H](Cl)C(C)(C)O3)CC[C@@](C)(N=CO)[C@H]2CC1
InChI: InChI=1S/C21H34ClNO2/c1-14-6-7-16-15(12-14)17(8-10-20(16,4)23-13-24)21(5)11-9-18(22)19(2,3)25-21/h12-13,15-18H,6-11H2,1-5H3,(H,23,24)/t15-,16+,17-,18+,20-,21+/m1/s1
InChIKey: CFIKBMDDAXJTEV-OVDOOKCHSA-N
Reference
New Antifouling Kalihipyrans from the Marine Sponge <i>Acanthella cavernosa</i>
PubChem CID: 10595161
LOTUS: LTS0054804
SuperNatural Ⅲ: SN0044232-09
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Acanthella cavernosa | Acanthella | Axinellidae | Axinellida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 367.9610000000001
TPSA？: 41.82
MolLogP？: 5.669000000000006
Number of H-Donors: 1
Number of H-Acceptors: 2
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|