(Q110185102)

English

(5S)-3-[(2R,13R)-2,13-dihydroxy-13-[(2S,2'S)-5'-[(1S)-1-hydroxyundecyl]-[2,2'-bioxolan]-5-yl]tridecyl]-5-methyl-5H-furan-2-one

group of stereoisomers with the chemical formula C₃₇H₆₆O₇

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instance of

group of stereoisomers

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subclass of

chemical compound

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mass

622.480854452 dalton

1 reference

based on heuristic

inferred from isomeric 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]2CCC([C@H](O)CCCCCCCCCC[C@@H](O)CC3=C[C@H](C)OC3=O)O2)O1

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Identifiers

InChI

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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InChIKey

MBABCNBNDNGODA-WIGKUCHRSA-N

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PubChem CID

5352043

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based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

MBABCNBNDNGODA-WIGKUCHRSA-N

1 reference

(Q110185102)

(5S)-3-[(2R,13R)-2,13-dihydroxy-13-[(2S,2'S)-5'-[(1S)-1-hydroxyundecyl]-[2,2'-bioxolan]-5-yl]tridecyl]-5-methyl-5H-furan-2-one

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