(Q104976308)

English

(2R)-2-methyl-4-[(2S,10R,13R)-2,10,13-trihydroxy-13-[(2S,5R)-5-[(2R,5S)-5-[(1S)-1-hydroxyundecyl]oxolan-2-yl]oxolan-2-yl]tridecyl]-2H-furan-5-one

chemical compound

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Statements

instance of

type of chemical entity

0 references

1 reference

638.475769072 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(2R)-2-methyl-4-[(2S,10R,13S)-2,10,13-trihydroxy-13-[(2S,5S)-5-[(2S,5S)-5-[(1S)-1-hydroxyundecyl]oxolan-2-yl]oxolan-2-yl]tridecyl]-2H-furan-5-one

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(2S)-2-methyl-4-[(2R,10S,13R)-2,10,13-trihydroxy-13-[(2S,5S)-5-[(2S,5S)-5-[(1S)-1-hydroxyundecyl]oxolan-2-yl]oxolan-2-yl]tridecyl]-2H-furan-5-one

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

12-Hydroxybullatacin B

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(2S)-2-methyl-4-[(2S,10R,13R)-2,10,13-trihydroxy-13-[(2S,5S)-5-[(2R,5S)-5-[(1R)-1-hydroxyundecyl]oxolan-2-yl]oxolan-2-yl]tridecyl]-2H-furan-5-one

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

12-Hydroxy-bullatacin A

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₇H₆₆O₈

0 references

canonical SMILES

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

0 references

isomeric SMILES

CCCCCCCCCC[C@H](O)[C@@H]1CC[C@H]([C@H]2CC[C@@H]([C@H](O)CC[C@H](O)CCCCCCC[C@H](O)CC3=C[C@@H](C)OC3=O)O2)O1

0 references

found in taxon

Annona purpurea

1 reference

stated in

Novel Acetogenins from the Leaves of Annona purpurea

Identifiers

InChI

InChI=1S/C37H66O8/c1-3-4-5-6-7-8-12-15-18-31(40)33-21-23-35(44-33)36-24-22-34(45-36)32(41)20-19-29(38)16-13-10-9-11-14-17-30(39)26-28-25-27(2)43-37(28)42/h25,27,29-36,38-41H,3-24,26H2,1-2H3/t27-,29-,30+,31+,32-,33+,34+,35-,36-/m1/s1

0 references

InChIKey

DDFDZKSKODBLSR-WMBZSZBXSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

DDFDZKSKODBLSR-WMBZSZBXSA-N

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