(Q105245057)

English

(2R)-2-methyl-4-[(2S,8R,13R)-2,8,13-trihydroxy-13-[(2R,5R)-5-[(Z,1R)-1-hydroxypentadec-4-enyl]oxolan-2-yl]tridecyl]-2H-furan-5-one

chemical compound

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instance of

type of chemical entity

0 references

subclass of

2-methyl-4-[2,8,13-trihydroxy-13-[5-(1-hydroxypentadec-4-enyl)oxolan-2-yl]tridecyl]-2H-furan-5-one

1 reference

1 reference

(2S)-2-methyl-4-[(2R,13R)-2,8,13-trihydroxy-13-[(2R,5R)-5-[(E)-1-hydroxypentadec-4-enyl]oxolan-2-yl]tridecyl]-2H-furan-5-one

1 reference

based on heuristic

inferred from SMILES

mass

622.480854452 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(2S)-2-methyl-4-[(2S,8R,13S)-2,8,13-trihydroxy-13-[(2R,5S)-5-[(E,1R)-1-hydroxypentadec-4-enyl]oxolan-2-yl]tridecyl]-2H-furan-5-one

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₃₇H₆₆O₇

0 references

canonical SMILES

O=C1OC(C=C1CC(O)CCCCCC(O)CCCCC(O)C2OC(CC2)C(O)CCC=CCCCCCCCCCC)C

0 references

isomeric SMILES

CCCCCCCCCC/C=C\CC[C@@H](O)[C@H]1CC[C@H]([C@H](O)CCCC[C@H](O)CCCCC[C@H](O)CC2=C[C@@H](C)OC2=O)O1

0 references

found in taxon

Annona senegalensis

1 reference

stated in

Annosenegalin and annogalene: two cytotoxic mono-tetrahydrofuran acetogenins from Annona senegalensis and Annona cherimolia

Identifiers

InChI

InChI=1S/C37H66O7/c1-3-4-5-6-7-8-9-10-11-12-13-17-23-33(40)35-25-26-36(44-35)34(41)24-19-18-21-31(38)20-15-14-16-22-32(39)28-30-27-29(2)43-37(30)42/h12-13,27,29,31-36,38-41H,3-11,14-26,28H2,1-2H3/b13-12-/t29-,31-,32+,33-,34-,35-,36-/m1/s1

0 references

InChIKey

RTCBNGGFSNXOIY-VTPNFWTQSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

RTCBNGGFSNXOIY-VTPNFWTQSA-N

(Q105245057)

(2R)-2-methyl-4-[(2S,8R,13R)-2,8,13-trihydroxy-13-[(2R,5R)-5-[(Z,1R)-1-hydroxypentadec-4-enyl]oxolan-2-yl]tridecyl]-2H-furan-5-one

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