(4aR,10aR)-6-methoxy-1,1,4a-trimethyl-7-oxidanyl-3,4,10,10a-tetrahydrophenanthrene-2,9-dione

Systemtic Name: (4aR,10aR)-6-methoxy-1,1,4a-trimethyl-7-oxidanyl-3,4,10,10a-tetrahydrophenanthrene-2,9-dione Openeye Name: (4aR,10aR)-7-hydroxy-6-methoxy-1,1,4a-trimethyl-3,4,10,10a-tetrahydrophenanthrene-2,9-dione CAS Name: (4aR,10aR)-7-hydroxy-6-methoxy-1,1,4a-trimethyl-3,4,10,10a-tetrahydrophenanthrene-2,9-dione IUPAC Name: (4aR,10aR)-7-hydroxy-6-methoxy-1,1,4a-trimethyl-3,4,10,10a-tetrahydrophenanthrene-2,9-dione Traditional Name: (4aR,10aR)-7-hydroxy-6-methoxy-1,1,4a-trimethyl-3,4,10,10a-tetrahydrophenanthrene-2,9-quinone Formula: C18H22O4 MolecularWeight: 302.36488

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2CC(=O)C3=CC(=C(C=C3C2(CCC1=O)C)OC)O)C

Isomeric SMILES

C[C@@]12CCC(=O)C([C@@H]1CC(=O)C3=CC(=C(C=C23)OC)O)(C)C

InChI

InChI=1S/C18H22O4/c1-17(2)15-9-12(19)10-7-13(20)14(22-4)8-11(10)18(15,3)6-5-16(17)21/h7-8,15,20H,5-6,9H2,1-4H3/t15-,18-/m0/s1