Spirolide A
AlkaPlorer ID: AK038945
Synonym: None
IUPAC Name: (2S)-2-[(1R,4S,6R,7S,9R,10E,12S,17R,20R,29S,32R)-9,32-dihydroxy-6,10,13,20,32-pentamethyl-27-methylidene-33,34,35-trioxa-22-azahexacyclo[27.3.1.11,4.14,7.012,17.017,23]pentatriaconta-10,13,22-trien-14-yl]-4-methyl-2H-furan-5-one
Structure
SMILES: C=C1CCCC2=NC[C@H](C)CC[C@]23CCC([C@@H]2C=C(C)C(=O)O2)=C(C)[C@@H]3/C=C(\C)[C@H](O)C[C@@H]2O[C@]3(CC[C@@]4(O[C@@H](CC[C@@]4(C)O)C1)O3)C[C@H]2C
InChI: InChI=1S/C42H61NO7/c1-25-9-8-10-37-40(15-11-26(2)24-43-37)16-13-32(36-21-28(4)38(45)47-36)30(6)33(40)20-27(3)34(44)22-35-29(5)23-41(49-35)17-18-42(50-41)39(7,46)14-12-31(19-25)48-42/h20-21,26,29,31,33-36,44,46H,1,8-19,22-24H2,2-7H3/b27-20+/t26-,29-,31+,33+,34-,35+,36+,39-,40-,41+,42-/m1/s1
InChIKey: NLUTVFJROHNTFD-OGXNXVLGSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Alexandrium ostenfeldii | Alexandrium | Pyrocystaceae | Gonyaulacales | Dinophyceae | None | None | Eukaryota |
Properties Information
Molecule Weight: 691.95
TPSA？: 106.81000000000002
MolLogP？: 7.8274000000000115
Number of H-Donors: 2
Number of H-Acceptors: 8
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|