Identification Common Name Sitosterol alpha1 Class Small Molecule Description Contaminant Sources FooDB Chemicals
ToxCast & Tox21 Chemicals Contaminant Type Not Available Chemical Structure Synonyms Value Source (3beta,5alpha)-4-Methylstigmasta-7,24(28)-dien-3-ol ChEBI alpha1-Sitosterol ChEBI 4-alpha-Methyl-5-alpha-stigmasta-7,Z-24-dien-3-beta-ol Kegg (Z)-24-Ethylidenelophenol Kegg (3b,5a)-4-Methylstigmasta-7,24(28)-dien-3-ol Generator (3Β,5α)-4-methylstigmasta-7,24(28)-dien-3-ol Generator a1-Sitosterol Generator Α1-sitosterol Generator 4-a-Methyl-5-a-stigmasta-7,Z-24-dien-3-b-ol Generator 4-Α-methyl-5-α-stigmasta-7,Z-24-dien-3-β-ol Generator (3b,4b,5a)-4-Methylergosta-7,24(28)-dien-3-ol Generator (3Β,4β,5α)-4-methylergosta-7,24(28)-dien-3-ol Generator Citrostadienol HMDB (3beta,4alpha,5alpha,24Z)-4-Methylstigmasta-7,24(28)-dien-3-ol HMDB (3Β,4α,5α,24Z)-4-methylstigmasta-7,24(28)-dien-3-ol HMDB 24-Ethylidenelophenol HMDB 5alpha-Sitosterol HMDB 5Α-sitosterol HMDB Citrastadienol HMDB
Chemical Formula C30 H50 O Average Molecular Mass 426.729 g/mol Monoisotopic Mass 426.386 g/mol CAS Registry Number 474-40-8 IUPAC Name (1R,2S,5S,6S,7S,11R,14R,15R)-2,6,15-trimethyl-14-[(2R,5Z)-5-(propan-2-yl)hept-5-en-2-yl]tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-9-en-5-ol Traditional Name (1R,2S,5S,6S,7S,11R,14R,15R)-14-[(2R,5Z)-5-isopropylhept-5-en-2-yl]-2,6,15-trimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-9-en-5-ol SMILES [H]\C(C)=C(/CC[C@@]([H])(C)[C@@]1([H])CC[C@@]2([H])C3=CC[C@@]4([H])[C@]([H])(C)[C@@]([H])(O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)C(C)C InChI Identifier InChI=1S/C30H50O/c1-8-22(19(2)3)10-9-20(4)24-13-14-26-23-11-12-25-21(5)28(31)16-18-30(25,7)27(23)15-17-29(24,26)6/h8,11,19-21,24-28,31H,9-10,12-18H2,1-7H3/b22-8-/t20-,21+,24-,25+,26+,27+,28+,29-,30+/m1/s1 InChI Key LPZCCMIISIBREI-JXMPMKKESA-N Chemical Taxonomy Description belongs to the class of organic compounds known as stigmastanes and derivatives. These are sterol lipids with a structure based on the stigmastane skeleton, which consists of a cholestane moiety bearing an ethyl group at the carbon atom C24. Kingdom Organic compounds Super Class Lipids and lipid-like molecules Class Steroids and steroid derivatives Sub Class Stigmastanes and derivatives Direct Parent Stigmastanes and derivatives Alternative Parents Substituents Triterpenoid
Stigmastane-skeleton
3-beta-hydroxysteroid
Hydroxysteroid
3-hydroxysteroid
3-hydroxy-delta-7-steroid
Delta-7-steroid
Cyclic alcohol
Secondary alcohol
Organic oxygen compound
Hydrocarbon derivative
Organooxygen compound
Alcohol
Aliphatic homopolycyclic compound Molecular Framework Aliphatic homopolycyclic compounds External Descriptors 
