13-Desmethylspirolide C
AlkaPlorer ID: AK038981
Synonym: ''
IUPAC Name: (2S)-2-[(1R,4R,7R,9R,10E,12R,17R,19R,20R,29R,32S)-9,32-dihydroxy-10,13,19,20,32-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)[C@H](C)C[C@@]23CCC([C@@H]2C=C(C)C(=O)O2)=C(C)[C@H]3/C=C(\C)[C@H](O)C[C@H]2CC[C@@]3(CC[C@@]4(O[C@H](CC[C@]4(C)O)C1)O3)O2
InChI: InChI=1S/C42H61NO7/c1-25-9-8-10-37-40(23-28(4)29(5)24-43-37)15-13-33(36-21-27(3)38(45)47-36)30(6)34(40)20-26(2)35(44)22-32-12-16-41(48-32)17-18-42(50-41)39(7,46)14-11-31(19-25)49-42/h20-21,28-29,31-32,34-36,44,46H,1,8-19,22-24H2,2-7H3/b26-20+/t28-,29+,31-,32-,34-,35-,36+,39+,40-,41-,42-/m1/s1
InChIKey: TWYUDVVIPSUDIG-FXTLNVLESA-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 |
|---|