2-azanyl-3-(4-hydroxyphenyl)propanoic acid; methyl 4-[10,13-dimethyl-11,17-bis(oxidanyl)-3-oxidanylidene-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-3-oxidanyl-4-oxidanylidene-butanoate

Systemtic Name: 2-azanyl-3-(4-hydroxyphenyl)propanoic acid; methyl 4-[10,13-dimethyl-11,17-bis(oxidanyl)-3-oxidanylidene-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-3-oxidanyl-4-oxidanylidene-butanoate Openeye Name: 2-amino-3-(4-hydroxyphenyl)propanoic acid; methyl 4-(11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl)-3-hydroxy-4-oxo-butanoate CAS Name: 2-amino-3-(4-hydroxyphenyl)propanoic acid; 4-(11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl)-3-hydroxy-4-oxobutanoic acid methyl ester IUPAC Name: 2-amino-3-(4-hydroxyphenyl)propanoic acid; methyl 4-(11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl)-3-hydroxy-4-oxobutanoate Traditional Name: 2-amino-3-(4-hydroxyphenyl)propionic acid; 4-(11,17-dihydroxy-3-keto-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl)-3-hydroxy-4-keto-butyric acid methyl ester Formula: C33H45NO10 MolecularWeight: 615.7111

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC(=O)C=C1CCC3C2C(CC4(C3CCC4(C(=O)C(CC(=O)OC)O)O)C)O.C1=CC(=CC=C1CC(C(=O)O)N)O

Isomeric SMILES

CC12CCC(=O)C=C1CCC3C2C(CC4(C3CCC4(C(=O)C(CC(=O)OC)O)O)C)O.C1=CC(=CC=C1CC(C(=O)O)N)O

InChI

InChI=1S/C24H34O7.C9H11NO3/c1-22-8-6-14(25)10-13(22)4-5-15-16-7-9-24(30,21(29)17(26)11-19(28)31-3)23(16,2)12-18(27)20(15)22;10-8(9(12)13)5-6-1-3-7(11)4-2-6/h10,15-18,20,26-27,30H,4-9,11-12H2,1-3H3;1-4,8,11H,5,10H2,(H,12,13)