2-phenyl-4a-propyl-1,3,4,9,10,10a-hexahydrophenanthrene-2,3,7-triol

Systemtic Name: 2-phenyl-4a-propyl-1,3,4,9,10,10a-hexahydrophenanthrene-2,3,7-triol Openeye Name: 2-phenyl-4a-propyl-1,3,4,9,10,10a-hexahydrophenanthrene-2,3,7-triol CAS Name: 2-phenyl-4a-propyl-1,3,4,9,10,10a-hexahydrophenanthrene-2,3,7-triol IUPAC Name: 2-phenyl-4a-propyl-1,3,4,9,10,10a-hexahydrophenanthrene-2,3,7-triol Traditional Name: 2-phenyl-4a-propyl-1,3,4,9,10,10a-hexahydrophenanthrene-2,3,7-triol Formula: C23H28O3 MolecularWeight: 352.46662

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Descriptors Computed from Structure

Canonical SMILES:

CCCC12CC(C(CC1CCC3=C2C=CC(=C3)O)(C4=CC=CC=C4)O)O

Isomeric SMILES

CCCC12CC(C(CC1CCC3=C2C=CC(=C3)O)(C4=CC=CC=C4)O)O

InChI

InChI=1S/C23H28O3/c1-2-12-22-15-21(25)23(26,17-6-4-3-5-7-17)14-18(22)9-8-16-13-19(24)10-11-20(16)22/h3-7,10-11,13,18,21,24-26H,2,8-9,12,14-15H2,1H3