(3beta)-3-(Acetyloxy)lup-20(29)-en-29-oyl chloride

Base Information

• Chemical Name: (3beta)-3-(Acetyloxy)lup-20(29)-en-29-oyl chloride
• CAS No.: 59868-82-5
• Molecular Formula: C₃₂H₄₉ClO₃
• Molecular Weight: 517.192
• DSSTox Substance ID: DTXSID001242067

Synonyms:SCHEMBL9129432;TUHBPKGUZNOXKV-BWXYOZBYSA-N;DTXSID001242067;(3beta)-3-(Acetyloxy)lup-20(29)-en-29-oyl chloride;(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-3a-(chlorocarbonyl)-5a,5b,8,8,11a-penta methyl-1-(prop-1-en-2-yl)icosahydro-1H-cyclopenta[a]chrysen-9-yl acetate;(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-3a-(chlorocarbonyl)-5a,5b,8,8,11a-pentamethyl--(prop-1-en-2-yl)icosahydro-1H-cyclopenta[a]chrysen-9-yl acetate;(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-3a-(chlorocarbonyl)-5a,5b,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)icosahydro-1H-cyclopenta[a]chrysen-9-yl acetate;59868-82-5

Chemical Property of (3beta)-3-(Acetyloxy)lup-20(29)-en-29-oyl chloride

Chemical Property:

• XLogP3: 9.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 516.3370231
• Heavy Atom Count: 36
• Complexity: 970

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Useful:

• Canonical SMILES: CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)OC(=O)C)C)C(=O)Cl
• Isomeric SMILES: CC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]3CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)OC(=O)C)C)C(=O)Cl

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