methyl (1R,4S,5R,9R,11S,12S)-1-hydroxy-5-isopropyl-8,12-dimethyl-11-{[(2E)-3-(1-methylimidazol-4-yl)prop-2-enoyl]oxy}-15-oxatricyclo[10.2.1.0⁴,⁹]pentadeca-2,7,13-triene-2-carboxylate
AlkaPlorer ID: AK547331
Synonym: None
IUPAC Name: None
Structure
SMILES: COC(=O)C1=C[C@@H]2[C@@H](C(C)C)CC=C(C)[C@@H]2C[C@H](OC(=O)/C=C/C2=CN(C)C=N2)[C@]2(C)C=C[C@@]1(O)O2
InChI: InChI=1S/C28H36N2O6/c1-17(2)20-9-7-18(3)21-14-24(35-25(31)10-8-19-15-30(5)16-29-19)27(4)11-12-28(33,36-27)23(13-22(20)21)26(32)34-6/h7-8,10-13,15-17,20-22,24,33H,9,14H2,1-6H3/b10-8+,23-13?/t20-,21+,22-,24+,27+,28-/m1/s1
InChIKey: VHZOZCRALQEBDG-VEPVBMCZSA-N
Reference
LOTUS: LTS0119967
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Parasphaerasclera aurea | Parasphaerasclera | Parasphaerascleridae | Scleralcyonacea | Anthozoa | Cnidaria | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 496.6040000000002
TPSA？: 99.88
MolLogP？: 3.736500000000004
Number of H-Donors: 1
Number of H-Acceptors: 8
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|