barbinine

chemical compound

ChemicalSubstance group_of_stereoisomers Q27105917

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barbinine

Summary

barbinine is a group of stereoisomers^[1].

Key Facts

barbinine's instance of is recorded as group of stereoisomers^[2].
barbinine's canonical SMILES is recorded as CCN1CC2(CCC(C34C2C(C(C31)(C5(CC(C6CC4C5C6=O)OC)O)O)OC)OC)COC(=O)C7=CC=CC=C7N8C(=O)CC(C8=O)C^[3].
barbinine's chemical formula is recorded as C₃₆H₄₆N₂O₁₀^[4].
barbinine is a type of pyrrolidine alkaloid^[5].
barbinine is a type of aconitane alkaloid^[6].
barbinine's isomeric SMILES is recorded as CCN1C[C@@]2(CCC@@HOC)COC(=O)C7=CC=CC=C7N8C(=O)CC@@HC^{C@@HOC)COC(=O)C7=CC=CC=C7N8C(=O)CC@@HC">[7]}.
barbinine's mass is recorded as {'unit': 'http://www.wikidata.org/entity/Q483261', 'amount': '+666.315246'}^[8].

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Quick Facts

Instance of group of stereoisomers

Subclass of pyrrolidine alkaloid, aconitane alkaloid

Properties

Canonical smiles CCN1CC2(CCC(C34C2C(C(C31)(C5(CC(C6CC4C5C6=O)OC)O)O)OC)OC)COC(=O)C7=CC=CC=C7N8C(=O)CC(C8=O)C

Chemical formula C₃₆H₄₆N₂O₁₀

Isomeric smiles CCN1C[C@@]2(CC[C@@H]([C@@]34[C@@H]2[C@@H]([C@@](C31)([C@]5(C[C@@H]([C@H]6C[C@@H]4[C@@H]5C6=O)OC)O)O)OC)OC)COC(=O)C7=CC=CC=C7N8C(=O)C[C@@H](C8=O)C

Mass +666.315246

External References (12)

Cas registry number 123497-99-4

Chebi id 2992

Chemspider id 390316

Dsstox compound identifier DTXCID201353359

Dsstox substance id DTXSID80924518

Inchi InChI=1S/C36H46N2O10/c1-6-37-16-33(17-48-31(42)19-9-7-8-10-22(19)38-25(39)13-18(2)30(38)41)12-11-24(46-4)35-21-14-20-23(45-3)15-34(43,26(21)27(20)40)36(44,32(35)37)29(47-5)28(33)35/h7-10,18,20-21,23-24,26,28-29,32,43-44H,6,11-17H2,1-5H3/t18-,20+,21+,23-,24-,26+,28+,29-,32?,33-,34+,35-,36+/m0/s1

Inchikey VBFGMIUWGBSAGV-UCFHPTPSSA-N

Kegg id C08662

Knapsack id C00001618

Pubchem cid 441711

Reaxys registry number 8181881, 10753152

Unichem compound id 1067388

🏷️ Also known as

en Aconitan-14-one, 7,8-dihydroxy-20-ethyl-4-(((2-(3-methyl-2,5-dioxo-1-pyrrolidinyl)benzoyl)oxy)methyl)-1,6,16-trimethoxy-, (1-alpha,4(S),6-beta,16-beta)- en barbinine

References

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

Direct Wikidata claims

[2] ↑ barbinine — instance of (P31): group of stereoisomers. wikidata.org.
[3] ↑ barbinine — canonical SMILES (P233): CCN1CC2(CCC(C34C2C(C(C31)(C5(CC(C6CC4C5C6=O)OC)O)O)OC)OC)COC(=O)C7=CC=CC=C7N8C(=O)CC(C8=O)C. PubChem. Retrieved 2016-10-05. wikidata.org.
[4] ↑ barbinine — chemical formula (P274): C₃₆H₄₆N₂O₁₀. PubChem. Retrieved 2016-10-05. wikidata.org.
[5] ↑ barbinine — subclass of (P279): pyrrolidine alkaloid. wikidata.org.
[6] ↑ barbinine — subclass of (P279): aconitane alkaloid. wikidata.org.
[7] ↑ barbinine — isomeric SMILES (P2017): CCN1C[C@@]2(CC[C@@H]([C@@]34[C@@H]2[C@@H]([C@@](C31)([C@]5(C[C@@H]([C@H]6C[C@@H]4[C@@H]5C6=O)OC)O)O)OC)OC)COC(=O)C7=CC=CC=C7N8C(=O)C[C@@H](C8=O)C. PubChem. Retrieved 2016-10-05. wikidata.org.
[8] ↑ barbinine — mass (P2067): {'unit': 'http://www.wikidata.org/entity/Q483261', 'amount': '+666.315246'}. PubChem. Retrieved 2016-10-05. wikidata.org.

Class ancestry

[1] ↑ barbinine is an instance of group of stereoisomers (Q59199015) [P31, primary]. Wikidata. wikidata.org.

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APA 4ort.xyz Knowledge Graph. (2026). barbinine. Retrieved May 3, 2026, from https://4ort.xyz/entity/barbinine

MLA “barbinine.” 4ort.xyz Knowledge Graph, 4ort.xyz, 3 May. 2026, https://4ort.xyz/entity/barbinine.

BibTeX

@misc{4ortxyz_barbinine_2026, author = {{4ort.xyz Knowledge Graph}}, title = {{barbinine}}, year = {2026}, url = {https://4ort.xyz/entity/barbinine}, note = {Accessed: 2026-05-03}}

LLM prompt

According to 4ort.xyz Knowledge Graph (aggregator of Wikidata, Wikipedia, and authoritative open-data sources): barbinine — https://4ort.xyz/entity/barbinine (retrieved 2026-05-03)

Canonical URL: https://4ort.xyz/entity/barbinine · Last refreshed: May 3, 2026

Edit History

Rolling log of changes to this entity's Wikidata record. Values shown reflect the current state of each edited property — follow the history link to see the precise diff for any edit.

11w ago · Nabbegat · 2026-06-19 view diff on Wikidata ↗

Dsstox substance id → DTXSID80924518

Imported from → —

Kegg id → C08662

Instance of → group of stereoisomers

+ 16 other properties edited (see Wikidata diff for full list)

"/* wbeditentity-update-languages-short:0||tr */ QuickStatements 3.0 [[:toollabs:qs-dev/batch/37300|batch #37300]]"

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