4a-ethyl-3-methyl-1-prop-2-enyl-1,2,4,9,10,10a-hexahydrophenanthrene-2,3,7-triol

Systemtic Name: 4a-ethyl-3-methyl-1-prop-2-enyl-1,2,4,9,10,10a-hexahydrophenanthrene-2,3,7-triol Openeye Name: 1-allyl-4a-ethyl-3-methyl-1,2,4,9,10,10a-hexahydrophenanthrene-2,3,7-triol CAS Name: 4a-ethyl-3-methyl-1-prop-2-enyl-1,2,4,9,10,10a-hexahydrophenanthrene-2,3,7-triol IUPAC Name: 4a-ethyl-3-methyl-1-prop-2-enyl-1,2,4,9,10,10a-hexahydrophenanthrene-2,3,7-triol Traditional Name: 1-allyl-4a-ethyl-3-methyl-1,2,4,9,10,10a-hexahydrophenanthrene-2,3,7-triol Formula: C20H28O3 MolecularWeight: 316.43452

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Descriptors Computed from Structure

Canonical SMILES:

CCC12CC(C(C(C1CCC3=C2C=CC(=C3)O)CC=C)O)(C)O

Isomeric SMILES

CCC12CC(C(C(C1CCC3=C2C=CC(=C3)O)CC=C)O)(C)O

InChI

InChI=1S/C20H28O3/c1-4-6-15-17-9-7-13-11-14(21)8-10-16(13)20(17,5-2)12-19(3,23)18(15)22/h4,8,10-11,15,17-18,21-23H,1,5-7,9,12H2,2-3H3