(Q105210950)

English

Sampsonione A

group of stereoisomers with the chemical formula C₃₈H₅₀O₅

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Statements

group of stereoisomers

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chemical compound

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586.3658247 dalton

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based on heuristic

inferred from isomeric SMILES

chemical formula

C₃₈H₅₀O₅

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canonical SMILES

O=C(C=1C=CC=CC1)C23C(=O)C4(CC=C(C)CCC=C(C)C)CC(CC5C(OC4(O)C5(C2=O)CC=C(C)C)(C)C)C3(C)C

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isomeric SMILES

CC(C)=CCC/C(C)=C/C[C@]12C[C@H]3C[C@H]4C(C)(C)OC1(O)[C@]4(CC=C(C)C)C(=O)[C@@](C(=O)c1ccccc1)(C2=O)C3(C)C

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Identifiers

InChI=1S/C38H50O5/c1-24(2)14-13-15-26(5)19-20-35-23-28-22-29-34(8,9)43-38(35,42)36(29,21-18-25(3)4)32(41)37(31(35)40,33(28,6)7)30(39)27-16-11-10-12-17-27/h10-12,14,16-19,28-29,42H,13,15,20-23H2,1-9H3/b26-19+/t28-,29+,35-,36+,37-,38?/m1/s1

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PLIMGUODTPFUKP-YKIDTEAHSA-N

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1 reference

based on heuristic

inferred from InChIKey

UniChem compound ID

1 reference

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