Oscillatoxin A
chemical compound
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Oscillatoxin A
Summary
Oscillatoxin An is a group of stereoisomers[1].
Key Facts
- Oscillatoxin A's instance of is recorded as group of stereoisomers[2].
- Oscillatoxin A's CAS Registry Number is recorded as 66671-95-2[3].
- Oscillatoxin A's canonical SMILES is recorded as CC1CC(C23CC(C(C(O2)C(C)CCC(C4=CC(=CC=C4)O)OC)C)OC(=O)CC(OC(=O)CC1(O3)O)CO)(C)C[4].
- Oscillatoxin A's InChI is recorded as InChI=1S/C31H46O10/c1-18(10-11-24(37-6)21-8-7-9-22(33)12-21)28-20(3)25-15-31(40-28)29(4,5)14-19(2)30(36,41-31)16-27(35)38-23(17-32)13-26(34)39-25/h7-9,12,18-20,23-25,28,32-33,36H,10-11,13-17H2,1-6H3/t18-,19+,20-,23+,24-,25?,28+,30-,31-/m0/s1[5].
- Oscillatoxin A's InChIKey is recorded as GKTXURNRIDXUNG-IYYTYHDMSA-N[6].
- Oscillatoxin A's chemical formula is recorded as C₃₁H₄₆O₁₀[7].
- Oscillatoxin A's subclass of is recorded as (3R,4S,9R,13S,14R)-13-hydroxy-9-(hydroxymethyl)-3-[(2S,5S)-5-(3-hydroxyphenyl)-5-methoxypentan-2-yl]-4,14,16,16-tetramethyl-2,6,10,17-tetraoxatricyclo[11.3.1.1¹,⁵]octadecane-7,11-dione[8].
- Oscillatoxin A's ChemSpider ID is recorded as 30791749[9].
- Oscillatoxin A's PubChem CID is recorded as 46173825[10].
- Oscillatoxin A's KEGG ID is recorded as C16771[11].
- Oscillatoxin A's ChEBI ID is recorded as 80718[12].
- Oscillatoxin A's isomeric SMILES is recorded as C[C@@H]1CC([C@@]23CC(C@@HC)OC(=O)CC@@HCO)(C)CC@@HC)OC(=O)CC@@HCO)(C)C">[13].
- Oscillatoxin A's mass is recorded as {'unit': 'http://www.wikidata.org/entity/Q483261', 'amount': '+578.309098'}[14].
- Oscillatoxin A's DSSTox substance ID is recorded as DTXSID30985250[15].
- Oscillatoxin A's DSSTOX compound identifier is recorded as DTXCID301412447[16].
- Oscillatoxin A's UniChem compound ID is recorded as 1066255[17].