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Stigmasterol

  • Formula: C29H48O

  • Molecular weight: 412.70

  • Smiles: CCC(C=CC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C

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Stigmasterol

Names
Structural Information
Physico-chemical Properties
ADME
Toxicity
Medical Chemistry
Fungi

Names

  • Mycotoxin name: Stigmasterol

  • First synonym: Stigmasterol

  • Synonyms: STIGMASTEROL,Stigmasterin,83-48-7,beta-Stigmasterol,Stigmasta-5,22-dien-3-ol, (3b,22E)-,UNII-99WUK5D0Y8,(24S)-5,22-Stigmastadien-3beta-ol,Stigmasta-5,22-dien-3beta-ol,Stigmasta-5,22-dien-3-beta-ol,Stigmasta-5,22-dien-3-ol, (3beta,22E)-,(3beta,22E)-Stigmasta-5,22-dien-3-ol,99WUK5D0Y8,CHEBI:28824,Stigmasta-5,22E-dien-3beta-ol,NSC 8095,MFCD00003630,.beta.-Stigmasterol,.delta.5,22-Stigmastadien-3.beta.-ol,(3S,8S,9S,10R,13R,14S,17R)-17-[(E,1R,4S)-4-ethyl-1,5-dimethyl-hex-2-enyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol,14-((2E)(4S,1R)-4-ethyl-1,5-dimethylhex-2-enyl)(1S,5S,10S,11S,2R,14R,15R)-2,15 -dimethyltetracyclo[8.7.0.0<2,7>.0<11,15>]heptadec-7-en-5-ol,Stigmasta-5,22-dien-3-ol,5,22-Stigmastadien-3beta-ol,Serposterol,b-stigmasterol,NSC-8095,CCRIS 7476,D5-Stigmasterol,HSDB 7683,Delta5-Stigmasterol,EINECS 201-482-7,3beta-Hydroxy-24-ethyl-5,22-cholestadiene,Stigmasterol, ~95%,Stigmasta-5,22-dien-3-ol, (3beta)-,SCHEMBL23999,stigmasta-5,22t-dien-3b-ol,CHEMBL400247,stigmasta-5,22-dien-3-b-ol,DTXSID801015733,Delta5,22-Stigmastadien-3beta-ol,HY-N0131,ZINC4096712,(24S)-5,22-stigmastadien-3b-ol,BDBM50376364,LMST01040123,s2361,SBB012602,STL570256,24aFH-stigmasta-5,22t-dien-3b-ol,AKOS022168193,CS-7746,(22E)-stigmasta-5,22-dien-3beta-ol,(24S)-Stigmast-5,22-dien-3beta-ol,(24xH)-stigmasta-5,22t-dien-3b-ol,24-Ethyl-5,22-cholestadien-3beta-ol,5,22-Cholestadien-24-ethyl-3beta-ol,Stigmasta-5,22-dien-3beta-ol (8CI),(24aFH)-stigmasta-5,22t-dien-3b-ol,(24x)-ethylcholesta-5,22-dien-3b-ol,NCGC00142599-03,(3b,22E)-stigmasta-5,22-dien-3-ol,(3S,8S,9S,10R,13R,14S,17R)-17-((2R,5S,E)-5-ethyl-6-methylhept-3-en-2-yl)-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol,24x-24-ethylcholest-5,22-dien-3b-ol,AS-15473,P501,ST069313,24-Ethyl-5,22-cholestadien-3.beta.-ol,5,22-Cholestadien-24beta-ethyl-3beta-ol,rac-(24xH)-stigmasta-5,22t-dien-3b-ol,(3.beta.,22E)-Stigmasta-5,22-dien-3-ol,(24S)-24-Ethylcholesta-5,22-dien-3beta-ol,C05442,157542-EP2277507A1,157542-EP2286795A1,Q425004,Q-201746,Stigmasta-5,22-dien-3-ol, (3beta,22E)- (9CI),UNII-3OE0DD1I5J component HCXVJBMSMIARIN-PHZDYDNGSA-N,UNII-D083681CDS component HCXVJBMSMIARIN-PHZDYDNGSA-N,Stigmasterol, certified reference material, 10 mg/mL in chloroform,17-(4-ethyl-1,5-dimethyl-hex-2-enyl)-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol

Identifiers / External links

Structure

  • Smiles: CCC(C=CC(C)C1CCC2C1(CCC3C2CC=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]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)C(C)C

  • Inchi: InChI=1S/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h8-10,19-21,23-27,30H,7,11-18H2,1-6H3/b9-8+/t20-,21-,23+,24+,25-,26+,27+,28+,29-/m1/s1

  • Inchikey: HCXVJBMSMIARIN-PHZDYDNGSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C29H48O

  • Molecular weight: 412.70

  • Monoisotopic mass: 412.37051615

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