(13aS)-2,5-dimethoxy-9,11,12,13,13a,14-hexahydrophenanthro[9,10-f]indolizine-3,6-diol

Systemtic Name: (13aS)-2,5-dimethoxy-9,11,12,13,13a,14-hexahydrophenanthro[9,10-f]indolizine-3,6-diol Openeye Name: (13aS)-2,5-dimethoxy-9,11,12,13,13a,14-hexahydrophenanthro[9,10-f]indolizine-3,6-diol CAS Name: (13aS)-2,5-dimethoxy-9,11,12,13,13a,14-hexahydrophenanthro[9,10-f]indolizine-3,6-diol IUPAC Name: (13aS)-2,5-dimethoxy-9,11,12,13,13a,14-hexahydrophenanthro[9,10-f]indolizine-3,6-diol Traditional Name: (13aS)-2,5-dimethoxy-9,11,12,13,13a,14-hexahydrophenanthr[9,10-f]indolizine-3,6-diol Formula: C22H23NO4 MolecularWeight: 365.42232

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C3=C(CN4CCCC4C3)C5=C2C(=C(C=C5)O)OC)O

Isomeric SMILES

COC1=C(C=C2C(=C1)C3=C(CN4CCC[C@H]4C3)C5=C2C(=C(C=C5)O)OC)O

InChI

InChI=1S/C22H23NO4/c1-26-20-10-15-14-8-12-4-3-7-23(12)11-17(14)13-5-6-18(24)22(27-2)21(13)16(15)9-19(20)25/h5-6,9-10,12,24-25H,3-4,7-8,11H2,1-2H3/t12-/m0/s1