batrachotoxinin A

chemical compound

ChemicalSubstance group_of_stereoisomers Q2891618

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batrachotoxinin A

Summary

batrachotoxinin An is a group of stereoisomers^[1].

Key Facts

batrachotoxinin A's instance of is recorded as group of stereoisomers^[2].
batrachotoxinin A's canonical SMILES is recorded as CC(C1=CCC23C1(CC(C45C2=CCC6C4(CCC(C6)(O5)O)C)O)CN(CCO3)C)O^[3].
batrachotoxinin A's chemical formula is recorded as C₂₄H₃₅NO₅^[4].
batrachotoxinin An is a type of 14-(1-Hydroxyethyl)-2,11a-dimethyl-1,2,3,4,7a,10,11,11a,12,13-decahydro-7H-9,11b-epoxy-13a,5a-prop[1]enophenanthro[2,1-f][1,4]oxazepine-9,12(8H)-diol^[5].
batrachotoxinin A's different from is recorded as batra^[6].
batrachotoxinin A's isomeric SMILES is recorded as CC(C1=CC[C@@]23C1(CC@HO)CN(CCO3)C)O^{C@HO)CN(CCO3)C)O">[7]}.
batrachotoxinin A's mass is recorded as {'unit': 'http://www.wikidata.org/entity/Q483261', 'amount': '+417.251523'}^[8].

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Quick Facts

Instance of group of stereoisomers

Subclass of 14-(1-Hydroxyethyl)-2,11a-dimethyl-1,2,3,4,7a,10,11,11a,12,13-decahydro-7H-9,11b-epoxy-13a,5a-prop[1]enophenanthro[2,1-f][1,4]oxazepine-9,12(8H)-diol

Properties

Canonical smiles CC(C1=CCC23C1(CC(C45C2=CCC6C4(CCC(C6)(O5)O)C)O)CN(CCO3)C)O

Chemical formula C₂₄H₃₅NO₅

Different from batra

Isomeric smiles CC(C1=CC[C@@]23C1(C[C@H](C45C2=CC[C@H]6[C@@]4(CC[C@@](C6)(O5)O)C)O)CN(CCO3)C)O

Mass +417.251523

External References (6)

Chemspider id 9.3M (548k–10.2M, n=4)

Google knowledge graph id /g/1hb_h3x8k

Inchi InChI=1S/C24H35NO5/c1-15(26)17-6-7-23-18-5-4-16-12-22(28)9-8-20(16,2)24(18,30-22)19(27)13-21(17,23)14-25(3)10-11-29-23/h5-6,15-16,19,26-28H,4,7-14H2,1-3H3/t15?,16-,19-,20+,21?,22+,23+,24?/m1/s1

Inchikey ZKCSFQZJDZSMCH-SGCABGHSSA-N

Pubchem cid 5360587

Unichem compound id 46910208

References

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

Direct Wikidata claims

[2] ↑ batrachotoxinin A — instance of (P31): group of stereoisomers. wikidata.org.
[3] ↑ batrachotoxinin A — canonical SMILES (P233): CC(C1=CCC23C1(CC(C45C2=CCC6C4(CCC(C6)(O5)O)C)O)CN(CCO3)C)O. PubChem. Retrieved 2016-09-20. wikidata.org.
[4] ↑ batrachotoxinin A — chemical formula (P274): C₂₄H₃₅NO₅. PubChem. Retrieved 2016-09-20. wikidata.org.
[5] ↑ batrachotoxinin A — subclass of (P279): 14-(1-Hydroxyethyl)-2,11a-dimethyl-1,2,3,4,7a,10,11,11a,12,13-decahydro-7H-9,11b-epoxy-13a,5a-prop[1]enophenanthro[2,1-f][1,4]oxazepine-9,12(8H)-diol. wikidata.org.
[6] ↑ batrachotoxinin A — different from (P1889): batra. wikidata.org.
[7] ↑ batrachotoxinin A — isomeric SMILES (P2017): CC(C1=CC[C@@]23C1(C[C@H](C45C2=CC[C@H]6[C@@]4(CC[C@@](C6)(O5)O)C)O)CN(CCO3)C)O. PubChem. Retrieved 2016-09-20. wikidata.org.
[8] ↑ batrachotoxinin A — mass (P2067): {'unit': 'http://www.wikidata.org/entity/Q483261', 'amount': '+417.251523'}. PubChem. Retrieved 2016-09-20. wikidata.org.

Class ancestry

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

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APA

4ort.xyz Knowledge Graph. (2026). batrachotoxinin A. Retrieved May 3, 2026, from https://4ort.xyz/entity/batrachotoxinin-a

MLA “batrachotoxinin A.” 4ort.xyz Knowledge Graph, 4ort.xyz, 3 May. 2026, https://4ort.xyz/entity/batrachotoxinin-a.

BibTeX

@misc{4ortxyz_batrachotoxinin-a_2026, author = {{4ort.xyz Knowledge Graph}}, title = {{batrachotoxinin A}}, year = {2026}, url = {https://4ort.xyz/entity/batrachotoxinin-a}, note = {Accessed: 2026-05-03}}

LLM prompt

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

Canonical URL: https://4ort.xyz/entity/batrachotoxinin-a · 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.

9w ago · Nabbegat · 2026-06-19 view diff on Wikidata ↗

Isomeric smiles → CC(C1=CC[C@@]23C1(C[C@H](C45C2=CC[C@H]6[C@@]4(CC[C@@](C6)(O5

Subclass of → 14-(1-Hydroxyethyl)-2,11a-dimethyl-1,2,3,4,7a,10,11,11a,12,13-decahydro-7H-9,11b-epoxy-13a,5a-prop[1]enophenanthro[2,1-f][1,4]oxazepine-9,12(8H)-diol

Chemical formula → C₂₄H₃₅NO₅

Unichem compound id → 46910208

+ 12 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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