4D8

(3beta,4alpha,5beta,14beta)-3-hydroxy-4-methylcholesta-8,24-diene-4-carboxylic acid


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Chemical Component Summary

Name(3beta,4alpha,5beta,14beta)-3-hydroxy-4-methylcholesta-8,24-diene-4-carboxylic acid
Synonyms4alpha-carboxy-4beta-methyl-zymosterol
Identifiers(3S,4S,5R,10S,13R,14R,17R)-4,10,13-trimethyl-17-[(2R)-6-methylhept-5-en-2-yl]-3-oxidanyl-1,2,3,5,6,7,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-4-carboxylic acid
FormulaC29 H46 O3
Molecular Weight442.674
TypeNON-POLYMER
Isomeric SMILESC[C@H](CCC=C(C)C)[C@H]1CC[C@@H]2[C@@]1(CCC3=C2CC[C@@H]4[C@@]3(CC[C@@H]([C@@]4(C)C(=O)O)O)C)C
InChIInChI=1S/C29H46O3/c1-18(2)8-7-9-19(3)21-11-12-22-20-10-13-24-28(5,23(20)14-16-27(21,22)4)17-15-25(30)29(24,6)26(31)32/h8,19,21-22,24-25,30H,7,9-17H2,1-6H3,(H,31,32)/t19-,21-,22+,24-,25+,27-,28-,29+/m1/s1
InChIKeyMYWAIWDQTCHPTH-LJAIZBFVSA-N

Chemical Details

Formal Charge0
Atom Count78
Chiral Atom Count8
Bond Count81
Aromatic Bond Count0

Related Resource References

Resource NameReference
PubChem 22298938
ChEBI CHEBI:50591