(Q104922294)

English

[(1S,4S,5R,6R,9S,10R,12R,14R)-6-acetyloxy-7-(acetyloxymethyl)-5-hydroxy-3,11,11,14-tetramethyl-15-oxo-4-tetracyclo[7.5.1.01,5.010,12]pentadeca-2,7-dienyl] (Z)-2-methylbut-2-enoate

chemical compound

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instance of

type of chemical entity

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subclass of

[6-Acetyloxy-7-(acetyloxymethyl)-5-hydroxy-3,11,11,14-tetramethyl-15-oxo-4-tetracyclo[7.5.1.01,5.010,12]pentadeca-2,7-dienyl] 2-methylbut-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

514.256668176 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₉H₃₈O₈

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canonical SMILES

O=C(OC1C(=CC23C(=O)C(C=C(COC(=O)C)C(OC(=O)C)C12O)C4C(CC3C)C4(C)C)C)C(=CC)C

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isomeric SMILES

C/C=C(/C)C(=O)O[C@H]1C(C)=C[C@]23C(=O)[C@@H](C=C(COC(C)=O)[C@@H](OC(C)=O)[C@]12O)[C@H]1[C@@H](C[C@H]3C)C1(C)C

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found in taxon

Euphorbia abyssinica

1 reference

stated in

Ingenane and lathyrane diterpenes from the latex of euphorbia acrurensis

Euphorbia canari

1 reference

stated in

Terracinolides from Euphorbia terracina

Euphorbia sapinii

1 reference

stated in

Terpenoids constituents of Euphorbia sapinii

Identifiers

InChI

InChI=1S/C29H38O8/c1-9-14(2)26(33)37-24-15(3)12-28-16(4)10-21-22(27(21,7)8)20(23(28)32)11-19(13-35-17(5)30)25(29(24,28)34)36-18(6)31/h9,11-12,16,20-22,24-25,34H,10,13H2,1-8H3/b14-9-/t16-,20+,21-,22+,24+,25-,28+,29-/m1/s1

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InChIKey

BAMLERHHOGMUAX-PHMWVENKSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

BAMLERHHOGMUAX-PHMWVENKSA-N

(Q104922294)

[(1S,4S,5R,6R,9S,10R,12R,14R)-6-acetyloxy-7-(acetyloxymethyl)-5-hydroxy-3,11,11,14-tetramethyl-15-oxo-4-tetracyclo[7.5.1.01,5.010,12]pentadeca-2,7-dienyl] (Z)-2-methylbut-2-enoate

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Identifiers

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