2,4b-dimethyl-7-oxidanyl-1-[(3-oxidanylidene-1,2-dihydroindol-2-yl)methyl]-1,3,4,4a,5,6,7,8,8a,9,10,10a-dodecahydrophenanthrene-2-carboxylic acid

Systemtic Name: 2,4b-dimethyl-7-oxidanyl-1-[(3-oxidanylidene-1,2-dihydroindol-2-yl)methyl]-1,3,4,4a,5,6,7,8,8a,9,10,10a-dodecahydrophenanthrene-2-carboxylic acid Openeye Name: 7-hydroxy-2,4b-dimethyl-1-[(3-oxoindolin-2-yl)methyl]-1,3,4,4a,5,6,7,8,8a,9,10,10a-dodecahydrophenanthrene-2-carboxylic acid CAS Name: 7-hydroxy-2,4b-dimethyl-1-[(3-oxo-1,2-dihydroindol-2-yl)methyl]-1,3,4,4a,5,6,7,8,8a,9,10,10a-dodecahydrophenanthrene-2-carboxylic acid IUPAC Name: 7-hydroxy-2,4b-dimethyl-1-[(3-oxo-1,2-dihydroindol-2-yl)methyl]-1,3,4,4a,5,6,7,8,8a,9,10,10a-dodecahydrophenanthrene-2-carboxylic acid Traditional Name: 7-hydroxy-1-[(3-ketoindolin-2-yl)methyl]-2,4b-dimethyl-1,3,4,4a,5,6,7,8,8a,9,10,10a-dodecahydrophenanthrene-2-carboxylic acid Formula: C26H35NO4 MolecularWeight: 425.5604

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC(CC1CCC3C2CCC(C3CC4C(=O)C5=CC=CC=C5N4)(C)C(=O)O)O

Isomeric SMILES

CC12CCC(CC1CCC3C2CCC(C3CC4C(=O)C5=CC=CC=C5N4)(C)C(=O)O)O

InChI

InChI=1S/C26H35NO4/c1-25-11-9-16(28)13-15(25)7-8-17-19(25)10-12-26(2,24(30)31)20(17)14-22-23(29)18-5-3-4-6-21(18)27-22/h3-6,15-17,19-20,22,27-28H,7-14H2,1-2H3,(H,30,31)