Pisolactone

Base Information

• Chemical Name: Pisolactone
• CAS No.: 87164-33-8
• Molecular Formula: C31H50 O3
• UNII: UET6Z5DQ5J
• Metabolomics Workbench ID: 113086
• Nikkaji Number: J846.810I
• Wikidata: Q77376319

Synonyms:Pisolactone;Pisolactone-;UET6Z5DQ5J;UNII-UET6Z5DQ5J;87164-33-8;(3R,5S)-5-((1S)-1-((3S,5R,10S,13R,14R,17R)-3-Hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta(a)phenanthren-17-yl)ethyl)-3-isopropyl-tetrahydrofuran-2-one;Lanost-8-ene-24-carboxylic acid, 3,22-dihydroxy-, gamma-lactone, (3beta,22S,24R)-;CHEBI:203238;(3R,5S)-5-[(1S)-1-[(3S,5R,10S,13R,14R,17R)-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]ethyl]-3-propan-2-yloxolan-2-one;LANOST-8-ENE-24-CARBOXYLIC ACID, 3,22-DIHYDROXY-, .GAMMA.-LACTONE, (3.BETA.,22S,24R)-

Chemical Property of Pisolactone

Chemical Property:

• XLogP3: 7.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 470.37599545
• Heavy Atom Count: 34
• Complexity: 885

Purity/Quality:

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C1CC(OC1=O)C(C)C2CCC3(C2(CCC4=C3CCC5C4(CCC(C5(C)C)O)C)C)C
• Isomeric SMILES: C[C@@H]([C@H]1CC[C@@]2([C@@]1(CCC3=C2CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)C)C)[C@@H]5C[C@@H](C(=O)O5)C(C)C

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