Keyword(s): Human Metabolites
Molecule Category Free-form

Structure

InChI Key KRVXMNNRSSQZJP-LOVVWNRFSA-N
Smiles C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](O)CC[C@]34C)[C@@H]1CC=C2
InChI
InChI=1S/C19H30O/c1-18-9-3-4-16(18)15-6-5-13-12-14(20)7-11-19(13,2)17(15)8-10-18/h3,9,13-17,20H,4-8,10-12H2,1-2H3/t13-,14-,15-,16-,17-,18-,19-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H30O1
Molecular Weight 274.23
AlogP 4.56
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Polar Surface Area 20.23
Heavy Atoms 20.0

Cross References

Resources Reference
CAS NUMBER 7148-51-8
NORMAN SUSDAT