Calotoxin
group of stereoisomers with the chemical formula C₂₉H₄₀O₁₀
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Calotoxin
Summary
Calotoxin is a group of stereoisomers[1].
Key Facts
- Calotoxin's instance of is recorded as group of stereoisomers[2].
- Calotoxin's CAS Registry Number is recorded as 20304-49-8[3].
- Calotoxin's canonical SMILES is recorded as CC1OC2OC3CC4CCC5C(CCC6(C)C(C7=CC(=O)OC7)CCC56O)C4(C=O)CC3OC2(O)C(O)C1O[4].
- Calotoxin's InChI is recorded as InChI=1S/C29H40O10/c1-14-23(32)24(33)29(35)25(37-14)38-20-10-16-3-4-19-18(27(16,13-30)11-21(20)39-29)5-7-26(2)17(6-8-28(19,26)34)15-9-22(31)36-12-15/h9,13-14,16-21,23-25,32-35H,3-8,10-12H2,1-2H3/t14-,16+,17-,18?,19-,20-,21-,23-,24-,25+,26-,27-,28+,29+/m1/s1[5].
- Calotoxin's InChIKey is recorded as LYSHVSOMKBORDM-LQHZDSTDSA-N[6].
- Calotoxin's chemical formula is recorded as C₂₉H₄₀O₁₀[7].
- Calotoxin's subclass of is recorded as chemical compound[8].
- Calotoxin's PubChem CID is recorded as 56840852[9].
- Calotoxin's isomeric SMILES is recorded as C[C@H]1O[C@H]2O[C@@H]3C[C@@H]4CC[C@@H]5C(CC[C@]6(C)C@@HCC[C@]56O)[C@@]4(C=O)C[C@H]3O[C@@]2(O)C@H[C@@H]1OC@@HCC[C@]56O)[C@@]4(C=O)C[C@H]3O[C@@]2(O)C@H[C@@H]1O">[10].
- Calotoxin's HSDB ID is recorded as 3468[11].
- Calotoxin's mass is recorded as {'unit': 'http://www.wikidata.org/entity/Q483261', 'amount': '+548.2621474799998'}[12].
- Calotoxin's SureChEMBL ID is recorded as 29389118[13].
- Calotoxin's DSSTox substance ID is recorded as DTXSID40174193[14].
- Calotoxin's DSSTOX compound identifier is recorded as DTXCID1096684[15].
- Calotoxin's UniChem compound ID is recorded as 53531942[16].