(Q104994964)

English

(3S,5R)-5-[(5S,11R)-5,11-dihydroxy-11-[(2S,5S)-5-[(1R)-1-hydroxytridecyl]oxolan-2-yl]undecyl]-3-(2-oxopropyl)oxolan-2-one

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

5-[(11S)-5,11-dihydroxy-11-[(2S,5S)-5-[(1S)-1-hydroxytridecyl]oxolan-2-yl]undecyl]-3-(2-oxopropyl)oxolan-2-one

1 reference

1 reference

596.465204388 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(3S,5S)-5-[(5R,11R)-5,11-dihydroxy-11-[(2S,5S)-5-[(1R)-1-hydroxytridecyl]oxolan-2-yl]undecyl]-3-(2-oxopropyl)oxolan-2-one

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₅H₆₄O₇

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canonical SMILES

O=C(C)CC1C(=O)OC(CCCCC(O)CCCCCC(O)C2OC(CC2)C(O)CCCCCCCCCCCC)C1

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isomeric SMILES

CCCCCCCCCCCC[C@@H](O)[C@@H]1CC[C@@H]([C@H](O)CCCCC[C@H](O)CCCC[C@@H]2C[C@@H](CC(C)=O)C(=O)O2)O1

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found in taxon

Annona reticulata

1 reference

stated in

Annoreticuin and Isoannoreticuin: Two New Cytotoxic Acetogenins from Annona reticulata

Identifiers

InChI

InChI=1S/C35H64O7/c1-3-4-5-6-7-8-9-10-11-14-21-31(38)33-23-24-34(42-33)32(39)22-15-12-13-18-29(37)19-16-17-20-30-26-28(25-27(2)36)35(40)41-30/h28-34,37-39H,3-26H2,1-2H3/t28-,29+,30-,31-,32-,33+,34+/m1/s1

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InChIKey

FGLYVGRJXTUDRE-VVYOSJKQSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

FGLYVGRJXTUDRE-VVYOSJKQSA-N

(Q104994964)

(3S,5R)-5-[(5S,11R)-5,11-dihydroxy-11-[(2S,5S)-5-[(1R)-1-hydroxytridecyl]oxolan-2-yl]undecyl]-3-(2-oxopropyl)oxolan-2-one

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