(Q105378622)

English

(2S)-4-[(8R,13R)-8,13-dihydroxy-13-[(2R,5R)-5-[(2S,5R)-5-[(1R)-1-hydroxyundecyl]oxolan-2-yl]oxolan-2-yl]tridecyl]-2-methyl-2H-furan-5-one

chemical compound

In more languages

Statements

type of chemical entity

0 references

(5S)-3-[(8R,13R)-8,13-dihydroxy-13-[(2R,2'S,5'R)-5'-[(1R)-1-hydroxyundecyl]-[2,2'-bioxolan]-5-yl]tridecyl]-5-methyl-5H-furan-2-one

1 reference

based on heuristic

inferred from SMILES

622.480854452 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₇H₆₆O₇

0 references

canonical SMILES

O=C1OC(C=C1CCCCCCCC(O)CCCCC(O)C2OC(CC2)C3OC(CC3)C(O)CCCCCCCCCC)C

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isomeric SMILES

CCCCCCCCCC[C@@H](O)[C@H]1CC[C@@H]([C@H]2CC[C@H]([C@H](O)CCCC[C@H](O)CCCCCCCC3=C[C@H](C)OC3=O)O2)O1

0 references

Asimina triloba

2 references

The absolute configuration of trilobacin and trilobin, a novel highly potent acetogenin from the stem bark of Asimina triloba (Annonaceae)

The absolute configuration of trilobacin and trilobin, a novel highly potent acetogenin from the stem bark of Asimina triloba (Annonaceae)

Identifiers

InChI=1S/C37H66O7/c1-3-4-5-6-7-8-12-15-21-31(39)33-23-25-35(43-33)36-26-24-34(44-36)32(40)22-17-16-20-30(38)19-14-11-9-10-13-18-29-27-28(2)42-37(29)41/h27-28,30-36,38-40H,3-26H2,1-2H3/t28-,30+,31+,32+,33+,34+,35-,36+/m0/s1

0 references

ZKPIIYAYSXXUDC-YVKOSWGISA-N

0 references

1 reference

17 September 2022

based on heuristic

inferred from InChIKey

UniChem compound ID

1 reference

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