27-HYDROXYCHOLESTEROL

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Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 6T2NA6P5SQ
EPA CompTox DTXSID40864941

Structure

InChI Key FYHRJWMENCALJY-YSQMORBQSA-N
Smiles C[C@@H](CO)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
InChI
InChI=1S/C27H46O2/c1-18(17-28)6-5-7-19(2)23-10-11-24-22-9-8-20-16-21(29)12-14-26(20,3)25(22)13-15-27(23,24)4/h8,18-19,21-25,28-29H,5-7,9-17H2,1-4H3/t18-,19-,21+,22+,23-,24+,25+,26+,27-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C27H46O2
Molecular Weight 402.35
AlogP 6.36
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 6.0
Polar Surface Area 40.46
Heavy Atoms 29.0

Cross References

Resources Reference
CAS NUMBER 20380-11-4
NORMAN SUSDAT
FDA SRS 6T2NA6P5SQ
CONTENTS