theaspirane

chemical compound
ChemicalSubstance group_of_stereoisomers Q27161796
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theaspirane

Summary

theaspirane is a group of stereoisomers[1].

Key Facts

  • theaspirane's instance of is recorded as group of stereoisomers[2].
  • theaspirane's CAS Registry Number is recorded as 36431-72-8[3].
  • theaspirane's EC number is recorded as 253-031-9[4].
  • theaspirane's canonical SMILES is recorded as CC1CCC2(O1)C(=CCCC2(C)C)C[5].
  • theaspirane's InChI is recorded as InChI=1S/C13H22O/c1-10-6-5-8-12(3,4)13(10)9-7-11(2)14-13/h6,11H,5,7-9H2,1-4H3[6].
  • theaspirane's InChIKey is recorded as GYUZHTWCNKINPY-UHFFFAOYSA-N[7].
  • theaspirane's chemical formula is recorded as C₁₃H₂₂O[8].
  • theaspirane's subclass of is recorded as spiro compound[9].
  • theaspirane's subclass of is recorded as megastigmane[10].
  • theaspirane's ChEMBL ID is recorded as CHEMBL3185445[11].
  • theaspirane's UNII is recorded as 7371A7GT6E[12].
  • theaspirane's ChemSpider ID is recorded as 55810[13].
  • theaspirane's PubChem CID is recorded as 61953[14].
  • theaspirane's ChEBI ID is recorded as 89598[15].
  • theaspirane's found in taxon is recorded as Baccharis dracunculifolia[16].
  • theaspirane's found in taxon is recorded as Catharanthus roseus[17].
  • theaspirane's found in taxon is recorded as Teucrium pseudoscorodonia[18].
  • theaspirane's found in taxon is recorded as Camellia sinensis[19].
  • theaspirane's Human Metabolome Database ID is recorded as HMDB0036823[20].
  • theaspirane's KNApSAcK ID is recorded as C00061616[21].
  • theaspirane's mass is recorded as {'unit': 'http://www.wikidata.org/entity/Q483261', 'amount': '+194.167'}[22].
  • theaspirane's ECHA Substance Infocard ID is recorded as 100.048.195[23].
  • theaspirane's SureChEMBL ID is recorded as 140967[24].
  • theaspirane's CosIng number is recorded as 41070[25].
  • theaspirane's DSSTox substance ID is recorded as DTXSID3047055[26].

References

Programmatic citations — every numbered marker resolves to a verifiable graph row below.

Direct Wikidata claims

  1. [2] . wikidata.org.
  2. [3] . ChEBI. Retrieved . commonchemistry.cas.org. Provenance: wikidata.org.
  3. [4] . ECHA Substance Infocard database. Retrieved . wikidata.org.
  4. [5] . PubChem. Retrieved . wikidata.org.
  5. [6] . PubChem. Retrieved . wikidata.org.
  6. [7] . PubChem. Retrieved . wikidata.org.
  7. [8] . PubChem. Retrieved . wikidata.org.
  8. [9] . wikidata.org.
  9. [10] . wikidata.org.
  10. [11] . ChEMBL. Retrieved . wikidata.org.
  11. [12] . wikidata.org.
  12. [13] . Q2311683. Retrieved . wikidata.org.
  13. [14] . PubChem. Retrieved . wikidata.org.
  14. [15] . ChEBI. Retrieved . wikidata.org.
  15. [16] . Constituents of Brazilian Vassoura oil. wikidata.org.
  16. [17] . Volatile Components of Catharanthus roseus (L.) G. Don (Apocynaceae). wikidata.org.
  17. [18] . Chemical and genetic differentiation of two Mediterranean subspecies of Teucrium scorodonia L. wikidata.org.
  18. [19] . Metabolite profiling of Camellia sinensis by automated sequential, multidimensional gas chromatography/mass spectrometry reveals strong monsoon effects on tea constituents. wikidata.org.
  19. [20] . wikidata.org.
  20. [21] . wikidata.org.
  21. [22] . PubChem. Retrieved . wikidata.org.
  22. [23] . ECHA Substance Infocard database. Retrieved . wikidata.org.
  23. [24] . wikidata.org.
  24. [25] . CosIng database. Retrieved . wikidata.org.
  25. [26] . Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard. wikidata.org.

Class ancestry

  1. [1] . Wikidata. wikidata.org.

📑 Cite this page

Use these citations when quoting this entity in research, articles, AI prompts, or wherever provenance matters. We aggregate Wikidata + Wikipedia + authoritative open-data sources; the stitched, scored, cross-referenced view is what 4ort.xyz contributes.

APA 4ort.xyz Knowledge Graph. (2026). theaspirane. Retrieved May 3, 2026, from https://4ort.xyz/entity/theaspirane
MLA “theaspirane.” 4ort.xyz Knowledge Graph, 4ort.xyz, 3 May. 2026, https://4ort.xyz/entity/theaspirane.
BibTeX @misc{4ortxyz_theaspirane_2026, author = {{4ort.xyz Knowledge Graph}}, title = {{theaspirane}}, year = {2026}, url = {https://4ort.xyz/entity/theaspirane}, note = {Accessed: 2026-05-03}}
LLM prompt According to 4ort.xyz Knowledge Graph (aggregator of Wikidata, Wikipedia, and authoritative open-data sources): theaspirane — https://4ort.xyz/entity/theaspirane (retrieved 2026-05-03)

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