(4aR,10aS)-1,1-dimethyl-5,6-bis(oxidanyl)-7-(2-oxidanylpropan-2-yl)-2,3,4,9,10,10a-hexahydrophenanthrene-4a-carbaldehyde

Systemtic Name: (4aR,10aS)-1,1-dimethyl-5,6-bis(oxidanyl)-7-(2-oxidanylpropan-2-yl)-2,3,4,9,10,10a-hexahydrophenanthrene-4a-carbaldehyde Openeye Name: (4aR,10aS)-5,6-dihydroxy-7-(1-hydroxy-1-methyl-ethyl)-1,1-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-4a-carbaldehyde CAS Name: (4aR,10aS)-5,6-dihydroxy-7-(2-hydroxypropan-2-yl)-1,1-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-4a-carboxaldehyde IUPAC Name: (4aR,10aS)-5,6-dihydroxy-7-(2-hydroxypropan-2-yl)-1,1-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-4a-carbaldehyde Traditional Name: (4aR,10aS)-5,6-dihydroxy-7-(1-hydroxy-1-methyl-ethyl)-1,1-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-4a-carbaldehyde Formula: C20H28O4 MolecularWeight: 332.43392

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCCC2(C1CCC3=CC(=C(C(=C32)O)O)C(C)(C)O)C=O)C

Isomeric SMILES

CC1(CCC[C@]2([C@H]1CCC3=CC(=C(C(=C32)O)O)C(C)(C)O)C=O)C

InChI

InChI=1S/C20H28O4/c1-18(2)8-5-9-20(11-21)14(18)7-6-12-10-13(19(3,4)24)16(22)17(23)15(12)20/h10-11,14,22-24H,5-9H2,1-4H3/t14-,20+/m0/s1