(1S,6S,6aR,12aR,12bS)-6-methoxy-1,8-bis(oxidanyl)-1,2,3,4,6,6a,12a,12b-octahydrobenzo[a]anthracene-7,12-dione

Systemtic Name: (1S,6S,6aR,12aR,12bS)-6-methoxy-1,8-bis(oxidanyl)-1,2,3,4,6,6a,12a,12b-octahydrobenzo[a]anthracene-7,12-dione Openeye Name: (1S,6S,6aR,12aR,12bS)-1,8-dihydroxy-6-methoxy-1,2,3,4,6,6a,12a,12b-octahydrobenzo[a]anthracene-7,12-dione CAS Name: (1S,6S,6aR,12aR,12bS)-1,8-dihydroxy-6-methoxy-1,2,3,4,6,6a,12a,12b-octahydrobenzo[a]anthracene-7,12-dione IUPAC Name: (1S,6S,6aR,12aR,12bS)-1,8-dihydroxy-6-methoxy-1,2,3,4,6,6a,12a,12b-octahydrobenzo[a]anthracene-7,12-dione Traditional Name: (1S,6S,6aR,12aR,12bS)-1,8-dihydroxy-6-methoxy-1,2,3,4,6,6a,12a,12b-octahydrobenz[a]anthracene-7,12-quinone Formula: C19H20O5 MolecularWeight: 328.3591

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Descriptors Computed from Structure

Canonical SMILES:

COC1C=C2CCCC(C2C3C1C(=O)C4=C(C3=O)C=CC=C4O)O

Isomeric SMILES

CO[C@H]1C=C2CCC[C@@H]([C@H]2[C@@H]3[C@H]1C(=O)C4=C(C3=O)C=CC=C4O)O

InChI

InChI=1S/C19H20O5/c1-24-13-8-9-4-2-6-11(20)14(9)17-16(13)19(23)15-10(18(17)22)5-3-7-12(15)21/h3,5,7-8,11,13-14,16-17,20-21H,2,4,6H2,1H3/t11-,13-,14-,16-,17+/m0/s1