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Beta-sitosterol

  • Formula: C29H50O

  • Molecular weight: 414.70

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

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Beta-sitosterol

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

Names

  • Mycotoxin name: Beta-sitosterol

  • First synonym: Beta-sitosterol

  • Synonyms: BETA-SITOSTEROL,83-46-5,Sitosterol,Cupreol,Azuprostat,22,23-Dihydrostigmasterol,Quebrachol,Triastonal,beta-Sitosterin,Nimbosterol,Cinchol,Harzol,Rhamnol,B-Sitosterol,alpha-Dihydrofucosterol,(-)-beta-Sitosterol,Prostasal,Sito-Lande,24alpha-Ethylcholesterol,(24R)-Ethylcholest-5-en-3beta-ol,(3beta)-Stigmast-5-en-3-ol,Sobatum,(24R)-Stigmast-5-en-3beta-ol,Angelicin (steroid),Stigmast-5-en-3beta-ol,a-Dihydrofucosterol,UNII-S347WMO6M4,SKF 14463,CHEBI:27693,NSC8096,Stigmast-5-en-3-ol, (3beta)-,CHEMBL221542,S347WMO6M4,.beta.-Sitosterol,NSC49083,NSC 18173,Stigmasterol,23-dihydro-,Stigmast-5-en-3-ol, (3.beta.)-,Q63409374,Stigmasterol, 22,23-dihydro-,Betaprost,.beta.-Sitosterin,beta Sitosterol,NSC 8096,MFCD00003631,alpha-Phytosterol,(3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol,14-((1S,4R)-4-ethyl-1,5-dimethylhexyl)(1S,5S,10S,11S,2R,14R,15R)-2,15-dimethyl tetracyclo[8.7.0.0<2,7>.0<11,15>]heptadec-7-en-5-ol,SITOSTEROL, BETA,.alpha.-Dihydrofucosterol,24.alpha.-Ethylcholesterol,Stigmast-5-en-3-ol, (3b)-,Stigmast-5-en-3.beta.-ol,SR-05000002307,24-alpha-Ethylcholesterol,Stigmast-5-en-3-beta-ol,delta5-Stigmasten-3-beta-ol,Sitosterol beta,a-Phytosterol,b-Sitosterin,beta-Phytosterol,Beta-sistosterol,CCRIS 5529,ss--Sitosterol,.beta.Sitosterin,.beta.Sitosterol,(3-beta)-Stigmast-5-en-3-ol,C29H50O,CAS-83-46-5,NCGC00095716-01,(3S,8S,9S,10R,13R,14S,17R)-17-((2R,5R)-5-ethyl-6-methylheptan-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,(3S,8S,9S,10R,13R,14S,17R)-17-[(1R,4R)-4-ethyl-1,5-dimethyl-hexyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol,EINECS 201-480-6,(-)-b-Sitosterol,Harzol (TN),24a-Ethylcholesterol,alpha.Dihydrofucosterol,D5-Stigmasten-3b-ol,Stigmast-5-en-3b-ol,AI3-26020,Prestwick0_000985,Prestwick1_000985,Prestwick2_000985,Prestwick3_000985,Delta5-Stigmasten-3b-ol,stigmast-5-ene-3beta-ol,DSSTox_CID_2481,beta-Sitosterol, >=70%,beta-Sitosterol (Synthetic),DSSTox_RID_76601,BIDD:PXR0121,DSSTox_GSID_22481,SCHEMBL16105,22,23-dihydro-Stigmasterol,BSPBio_001049,ARONIS24293,BIDD:ER0636,SPBio_002950,BPBio1_001155,MEGxp0_001710,DTXSID5022481,(24R)-Stigmast-5-en-3b-ol,ACon1_000287,CHEBI:176889,HMS1571E11,HMS2098E11,(24R)-Ethylcholest-5-en-3b-ol,24-Ethylcholest-5-en-3.beta.-ol,NSC-8096,NSC18173,ZINC4095717,beta-Sitosterol, analytical standard,Tox21_111514,BDBM50218197,beta-Sitosterol, synthetic, >=95%,LMST01040129,NSC-18173,NSC-49083,s2273,SBB012603,AKOS005267194,CCG-208334,DB14038,MCULE-2409753351,beta-Sitosterol, from soybean, >=96%,SMP1_000274,NCGC00142598-02,NCGC00142598-03,AC-24183,M047,NCI60_041777,ST069312,AB0015024,AB00513984,N1688,S0040,C01753,D08518,A840577,Q-200712,SR-05000002307-2,SR-05000002307-3,beta-Sitosterol, analytical standard, from soybean, >=40%,beta-Sitosterol, primary pharmaceutical reference standard,UNII-3OE0DD1I5J component KZJWDPNRJALLNS-VJSFXXLFSA-N,UNII-B46B6DD20U component KZJWDPNRJALLNS-VJSFXXLFSA-N,UNII-D083681CDS component KZJWDPNRJALLNS-VJSFXXLFSA-N,UNII-G7V636VTDY component KZJWDPNRJALLNS-VJSFXXLFSA-N,Beta-sitosterol, European Pharmacopoeia (EP) Reference Standard,beta-Sitosterol, United States Pharmacopeia (USP) Reference Standard,beta-Sitosterol, certified reference material, 100 mug/mL in chloroform,(3S,9S,10R,13R,14S,17R)-17-((2R,5R)-5-ethyl-6-methylheptan-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,17-(5-ethyl-6-methyl-heptan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol

Identifiers / External links

Structure

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

  • Isomeric smiles: CC[C@H](CC[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/C29H50O/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/h10,19-21,23-27,30H,7-9,11-18H2,1-6H3/t20-,21-,23+,24+,25-,26+,27+,28+,29-/m1/s1

  • Inchikey: KZJWDPNRJALLNS-VJSFXXLFSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C29H50O

  • Molecular weight: 414.70

  • Monoisotopic mass: 414.386166214

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