(Q125699836)

English

4-[(13R)-2,13-dihydroxy-13-[(2R,5S)-5-[(2R)-5-[(1S)-1-hydroxyundecyl]oxolan-2-yl]oxolan-2-yl]tridecyl]-2-methyl-2H-furan-5-one

No description defined

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Statements

group of stereoisomers

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chemical compound

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622.480854452 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₇H₆₆O₇

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canonical SMILES

O=C1OC(C=C1CC(O)CCCCCCCCCCC(O)C2OC(CC2)C3OC(CC3)C(O)CCCCCCCCCC)C

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isomeric SMILES

CCCCCCCCCC[C@H](O)C1CC[C@H]([C@@H]2CC[C@H]([C@H](O)CCCCCCCCCCC(O)CC3=CC(C)OC3=O)O2)O1

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Annona squamosa

1 reference

Cytotoxic bistetrahydrofuran annonaceous acetogenins from the seeds of Annona squamosa

Identifiers

InChI=1S/C37H66O7/c1-3-4-5-6-7-11-14-17-20-31(39)33-22-24-35(43-33)36-25-23-34(44-36)32(40)21-18-15-12-9-8-10-13-16-19-30(38)27-29-26-28(2)42-37(29)41/h26,28,30-36,38-40H,3-25,27H2,1-2H3/t28?,30?,31-,32+,33?,34+,35+,36-/m0/s1

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MBABCNBNDNGODA-KIKLSCMKSA-N

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1 reference

matched by identifier from

MBABCNBNDNGODA-KIKLSCMKSA-N

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

MBABCNBNDNGODA-KIKLSCMKSA-N

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