25-HYDROXYCHOLESTEROL

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Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 767JTD2N31
EPA CompTox DTXSID5044023

Structure

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

Physicochemical Descriptors

Property Name Value
Molecular Formula C27H46O2
Molecular Weight 402.35
AlogP 6.5
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 5.0
Polar Surface Area 40.46
Heavy Atoms 29.0

Cross References

Resources Reference
CAS NUMBER 2140-46-7
NORMAN SUSDAT
FDA SRS 767JTD2N31
PubChem 65094
CONTENTS