1,4a-dimethyl-7-propan-2-ylidene-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthrene-1-carboxylic acid; 2-azanyl-2-methyl-propane-1,3-diol

Systemtic Name: 1,4a-dimethyl-7-propan-2-ylidene-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthrene-1-carboxylic acid; 2-azanyl-2-methyl-propane-1,3-diol Openeye Name: 2-amino-2-methyl-propane-1,3-diol; 7-isopropylidene-1,4a-dimethyl-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthrene-1-carboxylic acid CAS Name: 1,4a-dimethyl-7-propan-2-ylidene-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthrene-1-carboxylic acid; 2-amino-2-methylpropane-1,3-diol IUPAC Name: 1,4a-dimethyl-7-propan-2-ylidene-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthrene-1-carboxylic acid; 2-amino-2-methylpropane-1,3-diol Traditional Name: 2-amino-2-methyl-propane-1,3-diol; 7-isopropylidene-1,4a-dimethyl-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthrene-1-carboxylic acid Formula: C24H41NO4 MolecularWeight: 407.58664

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C1CCC2C(=C1)CCC3C2(CCCC3(C)C(=O)O)C)C.CC(CO)(CO)N

Isomeric SMILES

CC(=C1CCC2C(=C1)CCC3C2(CCCC3(C)C(=O)O)C)C.CC(CO)(CO)N

InChI

InChI=1S/C20H30O2.C4H11NO2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22;1-4(5,2-6)3-7/h12,16-17H,5-11H2,1-4H3,(H,21,22);6-7H,2-3,5H2,1H3