VIPROSTOL

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Keyword(s): Human Metabolites
Molecule Category Free-form
UNII O2Y6I4Y8TF

Structure

InChI Key TWCQWABAGCMHLL-XOPJCJAOSA-N
Smiles CCCCC(O)(C/C=C/[C@H]1C(O)CC(=O)[C@@H]1CC=CCCCC(=O)OC)C=C
InChI
InChI=1S/C23H36O5/c1-4-6-15-23(27,5-2)16-11-13-19-18(20(24)17-21(19)25)12-9-7-8-10-14-22(26)28-3/h5,7,9,11,13,18-19,21,25,27H,2,4,6,8,10,12,14-17H2,1,3H3/b9-7+,13-11+/t18-,19-,21?,23?/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C23H36O5
Molecular Weight 392.26
AlogP 3.9
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 13.0
Polar Surface Area 83.83
Heavy Atoms 28.0

Cross References

Resources Reference
CAS NUMBER 73647-73-1
NORMAN SUSDAT
FDA SRS O2Y6I4Y8TF
CONTENTS