(Q104936017)

English

(3S,5S)-5-[(E,11R)-11-hydroxy-11-[(2R,5R)-5-[(1S)-1-hydroxydodecyl]oxolan-2-yl]undec-7-enyl]-3-(2-oxopropyl)oxolan-2-one

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

5-[11-Hydroxy-11-[5-(1-hydroxydodecyl)oxolan-2-yl]undec-7-enyl]-3-(2-oxopropyl)oxolan-2-one

1 reference

based on heuristic

inferred from SMILES

mass

564.43898964 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(3R,5R)-5-[(E,11R)-11-hydroxy-11-[(2R,5S)-5-[(1S)-1-hydroxydodecyl]oxolan-2-yl]undec-7-enyl]-3-(2-oxopropyl)oxolan-2-one

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(3R,5R)-5-[(Z,11R)-11-hydroxy-11-[(2R,5S)-5-[(1S)-1-hydroxydodecyl]oxolan-2-yl]undec-7-enyl]-3-(2-oxopropyl)oxolan-2-one

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₃₄H₆₀O₆

0 references

canonical SMILES

O=C(C)CC1C(=O)OC(CCCCCCC=CCCC(O)C2OC(CC2)C(O)CCCCCCCCCCC)C1

0 references

isomeric SMILES

CCCCCCCCCCC[C@H](O)[C@H]1CC[C@H]([C@H](O)CC/C=C/CCCCCC[C@H]2C[C@@H](CC(C)=O)C(=O)O2)O1

0 references

found in taxon

Annona reticulata

1 reference

stated in

Acetogenins from seeds of Annona reticulata

Identifiers

InChI

InChI=1S/C34H60O6/c1-3-4-5-6-7-8-12-15-18-21-30(36)32-23-24-33(40-32)31(37)22-19-16-13-10-9-11-14-17-20-29-26-28(25-27(2)35)34(38)39-29/h13,16,28-33,36-37H,3-12,14-15,17-26H2,1-2H3/b16-13+/t28-,29+,30+,31-,32-,33-/m1/s1

0 references

InChIKey

BHKBAQOZVCASRP-FTNIZZBISA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

BHKBAQOZVCASRP-FTNIZZBISA-N

(Q104936017)

(3S,5S)-5-[(E,11R)-11-hydroxy-11-[(2R,5R)-5-[(1S)-1-hydroxydodecyl]oxolan-2-yl]undec-7-enyl]-3-(2-oxopropyl)oxolan-2-one

Statements

Identifiers

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