Spirolide I
AlkaPlorer ID: AK314008
Synonym: None
IUPAC Name: 5-(6,29-dihydroxy-3,7,10,16,17,29-hexamethyl-24-methylidene-30,31-dioxa-19-azapentacyclo[24.3.1.11,4.09,14.014,20]hentriaconta-7,10,19-trien-11-yl)-3-methyloxolan-2-one
Structure
SMILES: C=C1CCCC2=NCC(C)C(C)CC23CCC(C2CC(C)C(=O)O2)=C(C)C3C=C(C)C(O)CC2OC3(CC2C)OC(CCC3(C)O)C1
InChI: InChI=1S/C40H61NO6/c1-23-10-9-11-36-39(20-26(4)28(6)22-41-36)15-13-31(35-18-25(3)37(43)45-35)29(7)32(39)17-24(2)33(42)19-34-27(5)21-40(47-34)38(8,44)14-12-30(16-23)46-40/h17,25-28,30,32-35,42,44H,1,9-16,18-22H2,2-8H3
InChIKey: RUSQWLZFEGOAMG-UHFFFAOYSA-N
Reference
Characterization of a Dispiroketal Spirolide Subclass from <i>Alexandrium ostenfeldii</i>
PubChem CID: 74960441
CAS: 1172640-76-4
LOTUS: LTS0246616
COCONUT: CNP0238370.3
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Alexandrium ostenfeldii | Alexandrium | Pyrocystaceae | Gonyaulacales | Dinophyceae | None | None | Eukaryota |
Properties Information
Molecule Weight: 651.9290000000001
TPSA？: 97.58
MolLogP？: 7.646600000000011
Number of H-Donors: 2
Number of H-Acceptors: 7
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|