Cholesta-3,5-dien-7-one
chemical compound
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Summary
Cholesta-3,5-dien-7-one is a group of stereoisomers[1].
Key Facts
- Cholesta-3,5-dien-7-one's instance of is recorded as group of stereoisomers[2].
- Cholesta-3,5-dien-7-one's CAS Registry Number is recorded as 567-72-6[3].
- Cholesta-3,5-dien-7-one's EC number is recorded as 209-305-5[4].
- Cholesta-3,5-dien-7-one's canonical SMILES is recorded as CC(C)CCCC(C)C1CCC2C1(CCC3C2C(=O)C=C4C3(CCC=C4)C)C[5].
- Cholesta-3,5-dien-7-one's InChI is recorded as InChI=1S/C27H42O/c1-18(2)9-8-10-19(3)21-12-13-22-25-23(14-16-27(21,22)5)26(4)15-7-6-11-20(26)17-24(25)28/h6,11,17-19,21-23,25H,7-10,12-16H2,1-5H3/t19-,21-,22+,23+,25?,26+,27-/m1/s1[6].
- Cholesta-3,5-dien-7-one's InChIKey is recorded as TTXJJFWWNDJDNR-IUVLWAHFSA-N[7].
- Cholesta-3,5-dien-7-one's chemical formula is recorded as C₂₇H₄₂O[8].
- Cholesta-3,5-dien-7-one's subclass of is recorded as chemical compound[9].
- Cholesta-3,5-dien-7-one's ChemSpider ID is recorded as 10128457[10].
- Cholesta-3,5-dien-7-one's PubChem CID is recorded as 11954162[11].
- Cholesta-3,5-dien-7-one's KEGG ID is recorded as C15357[12].
- Cholesta-3,5-dien-7-one's ChEBI ID is recorded as 79859[13].
- Cholesta-3,5-dien-7-one's isomeric SMILES is recorded as CC@H[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2C(=O)C=C4[C@@]3(CCC=C4)C)CC@H[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2C(=O)C=C4[C@@]3(CCC=C4)C)C">[14].
- Cholesta-3,5-dien-7-one's mass is recorded as {'unit': 'http://www.wikidata.org/entity/Q483261', 'amount': '+382.324'}[15].
- Cholesta-3,5-dien-7-one's ECHA Substance Infocard ID is recorded as 100.008.460[16].
- Cholesta-3,5-dien-7-one's NSC number is recorded as 18180[17].
- Cholesta-3,5-dien-7-one's NSC number is recorded as 134914[18].
- Cholesta-3,5-dien-7-one's DSSTox substance ID is recorded as DTXSID10972143[19].
- Cholesta-3,5-dien-7-one's DSSTOX compound identifier is recorded as DTXCID701399625[20].
- Cholesta-3,5-dien-7-one's UniChem compound ID is recorded as 1069517[21].