(5S)-5-[(1R,4S,6R,7S,9R,12R,17R,19R,20S,29S,32S)-9,32-dihydroxy-6,10,13,19,20,32-hexamethyl-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]-3-methyl-5H-furan-2-one
AlkaPlorer ID: AK038963
Synonym: None
IUPAC Name: (2S)-2-[(1R,4S,6R,7S,9R,10E,12R,17R,19R,20S,29S,32S)-9,32-dihydroxy-6,10,13,19,20,32-hexamethyl-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]2O[C@]3(CC[C@@]4(O[C@@H](CC[C@]4(C)O)C1)O3)C[C@H]2C
InChI: InChI=1S/C43H63NO7/c1-25-10-9-11-38-41(22-28(4)30(6)24-44-38)15-13-33(37-20-27(3)39(46)48-37)31(7)34(41)19-26(2)35(45)21-36-29(5)23-42(50-36)16-17-43(51-42)40(8,47)14-12-32(18-25)49-43/h19-20,28-30,32,34-37,45,47H,1,9-18,21-24H2,2-8H3/b26-19+/t28-,29-,30-,32+,34-,35-,36+,37+,40+,41-,42+,43-/m1/s1
InChIKey: BDNZANPABAQRBQ-NIPCVGNRSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Alexandrium ostenfeldii | Alexandrium | Pyrocystaceae | Gonyaulacales | Dinophyceae | None | None | Eukaryota |
Properties Information
Molecule Weight: 705.977
TPSA？: 106.81000000000002
MolLogP？: 8.073400000000012
Number of H-Donors: 2
Number of H-Acceptors: 8
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|