(Q105236273)

English

(2S)-2-methyl-4-[(2R,5R,6R)-2,5,6-trihydroxy-11-[(2S,5R)-5-[(1S)-1-hydroxypentadecyl]oxolan-2-yl]undecyl]-2H-furan-5-one

chemical compound

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instance of

type of chemical entity

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subclass of

2-methyl-4-[2,5,6-trihydroxy-11-[5-(1-hydroxypentadecyl)oxolan-2-yl]undecyl]-2H-furan-5-one

1 reference

based on heuristic

inferred from SMILES

mass

596.465204388 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

(2S)-2-methyl-4-[(2R,5S,6S)-2,5,6-trihydroxy-11-[(2S,5R)-5-[(1R)-1-hydroxypentadecyl]oxolan-2-yl]undecyl]-2H-furan-5-one

1 reference

based on heuristic

inferred from InChI

(2S)-2-methyl-4-[(2R,5R,6R)-2,5,6-trihydroxy-11-[(2R,5R)-5-[(1S)-1-hydroxypentadecyl]oxolan-2-yl]undecyl]-2H-furan-5-one

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₅H₆₄O₇

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canonical SMILES

O=C1OC(C=C1CC(O)CCC(O)C(O)CCCCCC2OC(CC2)C(O)CCCCCCCCCCCCCC)C

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isomeric SMILES

CCCCCCCCCCCCCC[C@H](O)[C@H]1CC[C@H](CCCCC[C@@H](O)[C@H](O)CC[C@@H](O)CC2=C[C@H](C)OC2=O)O1

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found in taxon

Annona montana

1 reference

stated in

Novel cytotoxic monotetrahydrofuranic Annonaceous acetogenins from Annona montana.

Identifiers

InChI

InChI=1S/C35H64O7/c1-3-4-5-6-7-8-9-10-11-12-13-16-20-33(39)34-24-22-30(42-34)18-15-14-17-19-31(37)32(38)23-21-29(36)26-28-25-27(2)41-35(28)40/h25,27,29-34,36-39H,3-24,26H2,1-2H3/t27-,29+,30-,31+,32+,33-,34+/m0/s1

0 references

InChIKey

RHCCRBHGFXGPHN-QVNKEGQOSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

RHCCRBHGFXGPHN-QVNKEGQOSA-N

(Q105236273)

(2S)-2-methyl-4-[(2R,5R,6R)-2,5,6-trihydroxy-11-[(2S,5R)-5-[(1S)-1-hydroxypentadecyl]oxolan-2-yl]undecyl]-2H-furan-5-one

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