Chemical Formula C27H46O2

Molecular Weight 402.66 Daltons
Monoisotopic Mass 402.34978072079997 Daltons

BioCyc Id 2-HYDROXY-CHOLESTEROL
Synonyms 20-hydroxycholesterol
(20S)-20-hydroxycholesterol
SMILES CC(C)CCC[C@@](O)(C)[C@H]3(CC[C@H]4([C@@H]2(C\C=C1(C[C@@H](O)CC[C@@](C)1[C@H]2CC[C@](C)34))))
InChI InChI=1S/C27H46O2/c1-18(2)7-6-14-27(5,29)24-11-10-22-21-9-8-19-17-20(28)12-15-25(19,3)23(21)13-16-26(22,24)4/h8,18,20-24,28-29H,6-7,9-17H2,1-5H3/t20-,21-,22-,23-,24-,25-,26-,27-/m0/s1
InChIKey InChIKey=MCKLJFJEQRYRQT-APGJSSKUSA-N
Log P 6.9
Topological Polar Surface Area 40.5 Å
Standard Gibbs Free Energy of Formation (ΔfG'°) 448.58154 kcal/mol []

ChEBI 1296
HMDB HMDB06283
Kegg C05500
MetaboLights MTBLC1296
MetaNetX MNXM3824
PubChem 121935
Seed cpd03274
ZINC ZINC000004096811
Credits: Revised 22-Mar-2012 by Fulcher CA, SRI International