sodium; 2-azanylethanol; 4-[10,13-dimethyl-3,7,12-tris(oxidanyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate

Systemtic Name: sodium; 2-azanylethanol; 4-[10,13-dimethyl-3,7,12-tris(oxidanyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate Openeye Name: sodium; 2-aminoethanol; 4-(3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate CAS Name: sodium; 2-aminoethanol; 4-(3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate IUPAC Name: sodium; 2-aminoethanol; 4-(3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate Traditional Name: sodium; 2-aminoethanol; 4-(3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)valerate Formula: C30H60N3NaO8 MolecularWeight: 613.80247

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC(=O)[O-])C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C.C(CO)N.C(CO)N.C(CO)N.[Na+]

Isomeric SMILES

CC(CCC(=O)[O-])C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C.C(CO)N.C(CO)N.C(CO)N.[Na+]

InChI

InChI=1S/C24H40O5.3C2H7NO.Na/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26;3*3-1-2-4;/h13-20,22,25-27H,4-12H2,1-3H3,(H,28,29);3*4H,1-3H2;/q;;;;+1/p-1