(Q105229126)

English

[(1R,3E,5R,7S,10Z,12S,13S,14S)-1-acetyloxy-10-(hydroxymethyl)-3,6,6,14-tetramethyl-2-oxo-13-tricyclo[10.3.0.05,7]pentadeca-3,10-dienyl] hexanoate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

[1-Acetyloxy-10-(hydroxymethyl)-3,6,6,14-tetramethyl-2-oxo-13-tricyclo[10.3.0.05,7]pentadeca-3,10-dienyl] hexanoate

1 reference

based on heuristic

inferred from SMILES

mass

474.298139064 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(1R,3E,5R,7S,10E,12S,13S,14S)-1-acetyloxy-10-(hydroxymethyl)-3,6,6,14-tetramethyl-2-oxo-13-tricyclo[10.3.0.05,7]pentadeca-3,10-dienyl] hexanoate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₈H₄₂O₆

0 references

canonical SMILES

O=C(OC12C(=O)C(=CC3C(CCC(=CC2C(OC(=O)CCCCC)C(C)C1)CO)C3(C)C)C)C

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isomeric SMILES

CCCCCC(=O)O[C@H]1[C@@H](C)C[C@]2(OC(C)=O)C(=O)/C(C)=C/[C@@H]3[C@H](CC/C(CO)=C/[C@@H]12)C3(C)C

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found in taxon

Euphorbia lathyris

1 reference

stated in

A new P-glycoprotein inhibitor from the caper spurge (Euphorbia lathyris).

Identifiers

InChI

InChI=1S/C28H42O6/c1-7-8-9-10-24(31)33-25-18(3)15-28(34-19(4)30)23(25)14-20(16-29)11-12-21-22(27(21,5)6)13-17(2)26(28)32/h13-14,18,21-23,25,29H,7-12,15-16H2,1-6H3/b17-13+,20-14-/t18-,21-,22+,23-,25-,28+/m0/s1

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InChIKey

QWEBGLOUXCMOMA-WDXCJRAPSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

QWEBGLOUXCMOMA-WDXCJRAPSA-N

1 reference

2 references

inferred from InChIKey

matched by identifier from

InChIKey

QWEBGLOUXCMOMA-WDXCJRAPSA-N

(Q105229126)

[(1R,3E,5R,7S,10Z,12S,13S,14S)-1-acetyloxy-10-(hydroxymethyl)-3,6,6,14-tetramethyl-2-oxo-13-tricyclo[10.3.0.05,7]pentadeca-3,10-dienyl] hexanoate

Statements

Identifiers

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