7-Oxostigmasterol

Base Information

• Chemical Name: 7-Oxostigmasterol
• CAS No.: 36449-99-7
• Molecular Formula: C₂₉H₄₆O₂
• Molecular Weight: 426.683
• ChEMBL ID: CHEMBL2376389
• DSSTox Substance ID: DTXSID401316179
• Metabolomics Workbench ID: 128567
• Nikkaji Number: J842.758E
• Wikidata: Q104375113

Synonyms:7-Oxostigmasterol;CHEMBL2376389;SCHEMBL13833044;CHEBI:191553;DTXSID401316179;36449-99-7;Stigmasta-5,22-dien-3.beta.-ol-3-one;(3S,8S,9S,10R,13R,14S,17R)-17-[(E,1R,4S)-4-ethyl-1,5-dimethyl-hex-2-enyl]-3-hydroxy-10,13-dimethyl-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-7-one;(3S,8S,9S,10R,13R,14S,17R)-17-[(E,2R,5S)-5-ethyl-6-methylhept-3-en-2-yl]-3-hydroxy-10,13-dimethyl-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-7-one

Chemical Property of 7-Oxostigmasterol

Chemical Property:

• XLogP3: 7.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 426.349780706
• Heavy Atom Count: 31
• Complexity: 748

Purity/Quality:

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MSDS Files:

Useful:

• Canonical SMILES: CCC(C=CC(C)C1CCC2C1(CCC3C2C(=O)C=C4C3(CCC(C4)O)C)C)C(C)C
• Isomeric SMILES: CC[C@H](/C=C/[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C(=O)C=C4[C@@]3(CC[C@@H](C4)O)C)C)C(C)C

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