Spirolide I
AlkaPlorer ID: AK092680
Synonym: '', 'spirolide I'
IUPAC Name: (3R,5S)-5-[(1R,3R,4R,6S,7E,9S,14R,16S,17R,26S,29R)-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=NC[C@H](C)[C@@H](C)C[C@@]23CCC([C@@H]2C[C@@H](C)C(=O)O2)=C(C)[C@@H]3/C=C(\C)[C@@H](O)C[C@H]2O[C@@]3(C[C@H]2C)O[C@@H](CC[C@@]3(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/b24-17+/t25-,26+,27-,28+,30+,32+,33+,34-,35+,38-,39-,40-/m1/s1
InChIKey: RUSQWLZFEGOAMG-PCAIDVPYSA-N
Reference
Characterization of a Dispiroketal Spirolide Subclass from <i>Alexandrium ostenfeldii</i>
PubChem CID: 162966942
LOTUS: LTS0160746
SuperNatural Ⅲ: SN0335809-04
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 |
|---|