(Q27106897)

English

Hydroxyvernolide

chemical compound

In more languages

Statements

type of chemical entity

0 references

germacrane sesquiterpenoid

0 references

378.131468±0 dalton

1 reference

language of work or name

Hydroxyvernolide (English)

5 October 2016

stereoisomer of

[(1S,3S,4S,8S,9Z,13S,15S)-15-hydroxy-5-methylidene-6-oxo-7,14,16-trioxatetracyclo[8.4.3.01,13.04,8]heptadec-9-en-3-yl] 2-(hydroxymethyl)prop-2-enoate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

[(1S,3S,4R,8R,9Z,13R,15R)-15-hydroxy-5-methylidene-6-oxo-7,14,16-trioxatetracyclo[8.4.3.01,13.04,8]heptadec-9-en-3-yl] 2-(hydroxymethyl)prop-2-enoate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₁₉H₂₂O₈

1 reference

language of work or name

Hydroxyvernolide (English)

5 October 2016

canonical SMILES

C=C1C2C(CC34C(O3)CCC(=CC2OC1=O)COC4O)OC(=O)C(=C)CO

1 reference

language of work or name

Hydroxyvernolide (English)

5 October 2016

isomeric SMILES

C=C1[C@@H]2[C@H](C[C@]34[C@H](O3)CC/C(=C/[C@H]2OC1=O)/CO[C@H]4O)OC(=O)C(=C)CO

1 reference

language of work or name

Hydroxyvernolide (English)

5 October 2016

Gymnanthemum amygdalinum

2 references

Use of Vernonia amygdalina by wild chimpanzee: possible roles of its bitter and related constituents.

Vernocistifolide und andere Sesquiterpenlactone ausVernonia und verwandten Arten

Distephanus biafrae

1 reference

Vernocistifolide und andere Sesquiterpenlactone ausVernonia und verwandten Arten

Identifiers

InChI=1S/C19H22O8/c1-9(7-20)16(21)26-13-6-19-14(27-19)4-3-11(8-24-18(19)23)5-12-15(13)10(2)17(22)25-12/h5,12-15,18,20,23H,1-4,6-8H2/b11-5-/t12-,13+,14-,15+,18-,19-/m1/s1

1 reference

language of work or name

Hydroxyvernolide (English)

5 October 2016

VPZCNCFYAPSUAL-LQLHESBKSA-N

2 references

language of work or name

Hydroxyvernolide (English)

5 October 2016

ChEBI release 2020-09-01

CAS Registry Number

1 reference

language of work or name

Hydroxyvernolide (English)

5 October 2016

1 reference

language of work or name

(1R,3S,4R,8R,13R,15R)-15-Hydroxy-5-methylene-6-oxo-7,14,16-trioxatetracyclo[8.4.3.0~1,13~.0~4,8~]heptadec-9-en-3-yl 2-(hydroxymethyl)acrylate (English)

5 October 2016

2 references

language of work or name

Hydroxyvernolide (English)

5 October 2016

matched by identifier from

VPZCNCFYAPSUAL-LQLHESBKSA-N

mapping relation type

2 references

language of work or name

Hydroxyvernolide (English)

5 October 2016

matched by identifier from

International Chemical Identifier

InChI=1S/C19H22O8/c1-9(7-20)16(21)26-13-6-19-14(27-19)4-3-11(8-24-18(19)23)5-12-15(13)10(2)17(22)25-12/h5,12-15,18,20,23H,1-4,6-8H2/b11-5-/t12-,13+,14-,15+,18-,19-/m1/s1

UniChem compound ID

1 reference

splash10-0udi-0000900000-6354c8e26b871568b118

0 references

DSSTox substance ID

2 references

Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard

matched by identifier from

VPZCNCFYAPSUAL-LQLHESBKSA-N

DSSTOX compound identifier

0 references

1 reference

language of work or name

Hydroxyvernolide (English)

5 October 2016

1 reference

language of work or name

Hydroxyvernolide (English)

5 October 2016

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