8-Pentanoylneosolaniol
chemical compound
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8-Pentanoylneosolaniol
Summary
8-Pentanoylneosolaniol is a group of stereoisomers[1].
Key Facts
- 8-Pentanoylneosolaniol's instance of is recorded as group of stereoisomers[2].
- 8-Pentanoylneosolaniol's CAS Registry Number is recorded as 116163-74-7[3].
- 8-Pentanoylneosolaniol's canonical SMILES is recorded as O=C(OCC12CC(OC(=O)CCCC)C(=CC2OC3C(O)C(OC(=O)C)C1(C)C43OC4)C)C[4].
- 8-Pentanoylneosolaniol's InChI is recorded as InChI=1S/C24H34O9/c1-6-7-8-18(27)32-16-10-23(11-29-14(3)25)17(9-13(16)2)33-21-19(28)20(31-15(4)26)22(23,5)24(21)12-30-24/h9,16-17,19-21,28H,6-8,10-12H2,1-5H3/t16-,17+,19+,20+,21+,22+,23+,24?/m0/s1[5].
- 8-Pentanoylneosolaniol's InChIKey is recorded as QXHICULSTMOREA-GOLADLMOSA-N[6].
- 8-Pentanoylneosolaniol's chemical formula is recorded as C₂₄H₃₄O₉[7].
- 8-Pentanoylneosolaniol's subclass of is recorded as trichothecane sesquiterpenoid[8].
- 8-Pentanoylneosolaniol's PubChem CID is recorded as 3081101[9].
- 8-Pentanoylneosolaniol's ChEBI ID is recorded as 175666[10].
- 8-Pentanoylneosolaniol's isomeric SMILES is recorded as CCCCC(=O)O[C@H]1C[C@@]2(COC(C)=O)C@@HO[C@@H]1C@HC@@H[C@@]2(C)C12CO2C@@HO[C@@H]1C@HC@@H[C@@]2(C)C12CO2">[11].
- 8-Pentanoylneosolaniol's KNApSAcK ID is recorded as C00056890[12].
- 8-Pentanoylneosolaniol's mass is recorded as {'unit': 'http://www.wikidata.org/entity/Q483261', 'amount': '+466.22028266799987'}[13].
- 8-Pentanoylneosolaniol's DSSTox substance ID is recorded as DTXSID60921944[14].
- 8-Pentanoylneosolaniol's DSSTOX compound identifier is recorded as DTXCID401350832[15].
- 8-Pentanoylneosolaniol's UniChem compound ID is recorded as 59153983[16].