HE3286

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Synonyms
Status
Molecule Category Free-form
UNII PH8858757I

Structure

InChI Key JJKOQZHWYLMASZ-FJWDNACWSA-N
Smiles C#C[C@]1(O)CC[C@H]2[C@@H]3[C@@H](O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C
InChI
InChI=1S/C21H30O3/c1-4-21(24)10-7-16-18-15(6-9-20(16,21)3)19(2)8-5-14(22)11-13(19)12-17(18)23/h1,12,14-18,22-24H,5-11H2,2-3H3/t14-,15-,16-,17-,18+,19-,20-,21-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H30O3
Molecular Weight 330.47
AlogP 2.65
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 3.0
Polar Surface Area 60.69
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 24.0

Related Entries

Cross References

Resources Reference
ChEMBL CHEMBL4297284
DrugBank DB05212
FDA SRS PH8858757I
SureChEMBL SCHEMBL512549
CONTENTS