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PETROTETRAYNDIOL
SpectraBase Compound ID 7p40XG2xj3r
InChI InChI=1S/C46H68O3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-19-25-30-35-40-45(48)41-36-31-26-20-17-18-21-27-32-37-42-46(49)43-38-33-28-23-22-24-29-34-39-44(47)4-2/h1-2,5-6,17,20,34-35,39-40,44,46-47,49H,7-16,18-19,21-33,36,41H2/b6-5+,20-17+,39-34+,40-35+/t44-,46-/m1/s1
InChIKey NDHYGFMCXMXPOB-FASUXHCPSA-N
Mol Weight 669.0 g/mol
Molecular Formula C46H68O3
Exact Mass 668.516846 g/mol
Enantiomer InChIKey NDHYGFMCXMXPOB-HZWBFBGVSA-N
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Solvent CD3OD
Title Journal or Book Year
Additional Cytotoxic Polyacetylenes from the Marine Sponge Petrosia Species Journal of Natural Products 2000

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