(2S)-9-[(1S,4R,6S,10R)-10-methyl-7,9,12-triazatricyclo[6.3.1.0⁴,¹²]dodec-7-en-6-yl]nonan-2-yl (1R,4R,5R,6S,10S)-6-methyl-10-nonyl-7,9,12-triazatricyclo[6.3.1.0⁴,¹²]dodec-7-ene-5-carboxylate
AlkaPlorer ID: AK083090
Synonym: None
IUPAC Name: 9-[(1R,4S,6R,10S)-10-methyl-7,9,12-triazatricyclo[6.3.1.04,12]dodec-7-en-6-yl]nonan-2-yl (1S,4S,5S,6R,10R)-6-methyl-10-nonyl-7,9,12-triazatricyclo[6.3.1.04,12]dodec-7-ene-5-carboxylate
Structure
SMILES: CCCCCCCCC[C@@H]1C[C@@H]2CC[C@H]3[C@@H](C(=O)OC(C)CCCCCCC[C@@H]4C[C@@H]5CC[C@@H]6C[C@H](C)N=C(N4)N65)[C@@H](C)N=C(N1)N23
InChI: InChI=1S/C39H68N6O2/c1-5-6-7-8-9-12-15-19-31-26-34-22-23-35-36(29(4)41-39(43-31)45(34)35)37(46)47-28(3)17-14-11-10-13-16-18-30-25-33-21-20-32-24-27(2)40-38(42-30)44(32)33/h27-36H,5-26H2,1-4H3,(H,40,42)(H,41,43)/t27-,28?,29+,30+,31+,32+,33-,34-,35-,36-/m0/s1
InChIKey: SIXNJAZDRWJYIP-QHKXGOAWSA-N
Reference
Bioactive Guanidine Alkaloids from Two Caribbean Marine Sponges
PubChem CID: 46882528
LOTUS: LTS0147797
NPASS: NPC469389
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Monanchora arbuscula | Monanchora | Crambeidae | Poecilosclerida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 653.0130000000001
TPSA？: 81.55999999999999
MolLogP？: 7.701800000000008
Number of H-Donors: 2
Number of H-Acceptors: 8
RingCount: 6