cis-(7S,8R)-(-)-epoxy-2-methyloctadecane (Q1229127)

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chemical compound

• (-)-cis-disparlure
• (-)-disparlure

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Language	Label	Description	Also known as
English	cis-(7S,8R)-(-)-epoxy-2-methyloctadecane	chemical compound	(-)-cis-disparlure (-)-disparlure

Statements

instance of

type of chemical entity

0 references

subclass of

oxygenated hydrocarbon

0 references

part of

(±)-cis-7,8-epoxy-2-methyloctadecane

0 references

chemical structure

Disparlur.svg
620 × 126; 9 KB

1 reference

imported from Wikimedia project

German Wikipedia

mass

282.292266±0 dalton

1 reference

stated in

PubChem

PubChem CID

62850

language of work or name

English

title

Disparlure (English)

retrieved

20 September 2016

stereoisomer of

cis-(7S,8R)-(+)-epoxy-2-methyloctadecane

1 reference

based on heuristic

inferred from InChI

chemical formula

C₁₉H₃₈O

1 reference

stated in

PubChem

PubChem CID

62850

language of work or name

English

title

Disparlure (English)

retrieved

20 September 2016

canonical SMILES

CCCCCCCCCCC1C(O1)CCCCC(C)C

1 reference

stated in

PubChem

PubChem CID

62850

language of work or name

English

title

Disparlure (English)

retrieved

20 September 2016

isomeric SMILES

CCCCCCCCCC[C@@H]1[C@@H](O1)CCCCC(C)C

1 reference

stated in

PubChem

PubChem CID

62850

language of work or name

English

title

Disparlure (English)

retrieved

20 September 2016

Identifiers

InChI

InChI=1S/C19H38O/c1-4-5-6-7-8-9-10-11-15-18-19(20-18)16-13-12-14-17(2)3/h17-19H,4-16H2,1-3H3/t18-,19+/m1/s1

1 reference

stated in

PubChem

PubChem CID

62850

language of work or name

English

title

Disparlure (English)

retrieved

20 September 2016

InChIKey

HFOFYNMWYRXIBP-MOPGFXCFSA-N

1 reference

stated in

PubChem

PubChem CID

62850

language of work or name

English

title

Disparlure (English)

retrieved

20 September 2016

CAS Registry Number

54910-52-0

1 reference

stated in

Reaxys

ChemSpider ID

56583

1 reference

stated in

ChemSpider

ChemSpider ID

56583

language of work or name

English

title

(2R,3S)-2-Decyl-3-(5-methylhexyl)oxirane (English)

retrieved

20 September 2016

PubChem CID

62850

2 references

stated in

PubChem

PubChem CID

62850

language of work or name

English

title

Disparlure (English)

retrieved

20 September 2016

matched by identifier from

InChIKey

InChIKey

HFOFYNMWYRXIBP-MOPGFXCFSA-N

ChEBI ID

179293

mapping relation type

exact match

2 references

stated in

ChEBI release 2022-06-13

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C19H38O/c1-4-5-6-7-8-9-10-11-15-18-19(20-18)16-13-12-14-17(2)3/h17-19H,4-16H2,1-3H3/t18-,19+/m1/s1

SureChEMBL ID

SCHEMBL2855219

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

InChIKey

HFOFYNMWYRXIBP-MOPGFXCFSA-N

UniChem compound ID

22947851

1 reference

stated in

UniChem

DSSTox substance ID

DTXSID4035548

2 references

stated in

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

matched by identifier from

InChIKey

InChIKey

HFOFYNMWYRXIBP-MOPGFXCFSA-N

DSSTOX compound identifier

DTXCID2015548

0 references

UNII

E5FWS893X3

1 reference

matched by identifier from

InChIKey

InChIKey

HFOFYNMWYRXIBP-MOPGFXCFSA-N

1FU18G2315

1 reference

matched by identifier from

InChIKey

InChIKey

HFOFYNMWYRXIBP-MOPGFXCFSA-N

LIPID MAPS ID

LMFA12000283

1 reference

stated in

LIPID MAPS

reference URL

http://www.lipidmaps.org/rest/compound/lm_id/LM/all/download

retrieved

30 June 2018

Römpp online ID

RD-04-02046

1 reference

imported from Wikimedia project

German Wikipedia

 

Sitelinks

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Wikisource(0 entries)

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Wikiversity(0 entries)

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Wikivoyage(0 entries)

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Wiktionary(0 entries)

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