Azaspiracid 33

AlkaPlorer ID: AK289975

Synonym: None

IUPAC Name: None

Structure

SMILES: C=C(CC12CC(C)CC(O1)C1OC3(CC1O2)NCC(C)CC3C)C1OC(O)(C(O)C2CCC(C/C=C/CC/C=C/CCC(=O)O)O2)C(C)CC1C

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InChI: InChI=1S/C41H65NO9/c1-25-19-33-37-34(23-40(50-37)29(5)18-26(2)24-42-40)49-39(21-25,48-33)22-28(4)36-27(3)20-30(6)41(46,51-36)38(45)32-17-16-31(47-32)14-12-10-8-7-9-11-13-15-35(43)44/h9-12,25-27,29-34,36-38,42,45-46H,4,7-8,13-24H2,1-3,5-6H3,(H,43,44)/b11-9+,12-10+

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InChIKey: UVQNAVZXOLGVBU-WGDLNXRISA-N

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Reference

CAS: 1636140-23-2

Properties Information

Molecule Weight: 715.9689999999999

TPSA: 135.94000000000003

MolLogP: 6.399300000000006

Number of H-Donors: 4

Number of H-Acceptors: 9

RingCount: 6

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information