(Q104667984)

English

[(1R,3S,13S)-3,13-dihydroxy-1-[(2R,5R)-5-[(1S)-1-hydroxytridecyl]oxolan-2-yl]-15-[(2S)-2-methyl-5-oxo-2H-furan-4-yl]pentadecyl] acetate

chemical compound

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Statements

instance of

type of chemical entity

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1 reference

[3,13-dihydroxy-1-[5-(1-hydroxytridecyl)oxolan-2-yl]-15-(2-methyl-5-oxo-2H-furan-4-yl)pentadecyl] acetate

1 reference

based on heuristic

inferred from SMILES

[(1R)-3,13-dihydroxy-1-[(2R,5R)-5-[(1S)-1-hydroxytridecyl]oxolan-2-yl]-15-(2-methyl-5-oxo-2H-furan-4-yl)pentadecyl] acetate

1 reference

based on heuristic

inferred from SMILES

mass

666.5070692 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₃₉H₇₀O₈

0 references

canonical SMILES

O=C1OC(C=C1CCC(O)CCCCCCCCCC(O)CC(OC(=O)C)C2OC(CC2)C(O)CCCCCCCCCCCC)C

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isomeric SMILES

CCCCCCCCCCCC[C@H](O)[C@H]1CC[C@H]([C@@H](C[C@@H](O)CCCCCCCCC[C@H](O)CCC2=C[C@H](C)OC2=O)OC(C)=O)O1

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found in taxon

Dasymaschalon sootepense

1 reference

stated in

Novel Acetogenins from the Leaves ofDasymaschalon sootepense

Identifiers

InChI

InChI=1S/C39H70O8/c1-4-5-6-7-8-9-10-14-17-20-23-35(43)36-26-27-37(47-36)38(46-31(3)40)29-34(42)22-19-16-13-11-12-15-18-21-33(41)25-24-32-28-30(2)45-39(32)44/h28,30,33-38,41-43H,4-27,29H2,1-3H3/t30-,33-,34-,35-,36+,37+,38+/m0/s1

0 references

InChIKey

BIODFBOSASJNMO-ZPIQHZIQSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

BIODFBOSASJNMO-ZPIQHZIQSA-N

1 reference

(Q104667984)

[(1R,3S,13S)-3,13-dihydroxy-1-[(2R,5R)-5-[(1S)-1-hydroxytridecyl]oxolan-2-yl]-15-[(2S)-2-methyl-5-oxo-2H-furan-4-yl]pentadecyl] acetate

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