4-[3-[2-[[4-(13,16-dimethyl-17-oxidanyl-3-oxidanylidene-17-prop-1-ynyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-11-yl)phenyl]-methyl-amino]ethoxy]-10,13-dimethyl-7,12-bis(oxidanyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid

Systemtic Name: 4-[3-[2-[[4-(13,16-dimethyl-17-oxidanyl-3-oxidanylidene-17-prop-1-ynyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-11-yl)phenyl]-methyl-amino]ethoxy]-10,13-dimethyl-7,12-bis(oxidanyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid Openeye Name: 4-[7,12-dihydroxy-3-[2-[4-(17-hydroxy-13,16-dimethyl-3-oxo-17-prop-1-ynyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-11-yl)-N-methyl-anilino]ethoxy]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid CAS Name: 4-[7,12-dihydroxy-3-[2-[4-(17-hydroxy-13,16-dimethyl-3-oxo-17-prop-1-ynyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-11-yl)-N-methylanilino]ethoxy]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid IUPAC Name: 4-[7,12-dihydroxy-3-[2-[4-(17-hydroxy-13,16-dimethyl-3-oxo-17-prop-1-ynyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-11-yl)-N-methylanilino]ethoxy]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid Traditional Name: 4-[7,12-dihydroxy-3-[2-[4-(17-hydroxy-3-keto-13,16-dimethyl-17-prop-1-ynyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-11-yl)-N-methyl-anilino]ethoxy]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]valeric acid Formula: C55H77NO7 MolecularWeight: 864.20238

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Descriptors Computed from Structure

Canonical SMILES:

CC#CC1(C(CC2C1(CC(C3=C4CCC(=O)C=C4CCC23)C5=CC=C(C=C5)N(C)CCOC6CCC7(C(C6)CC(C8C7CC(C9(C8CCC9C(C)CCC(=O)O)C)O)O)C)C)C)O

Isomeric SMILES

CC#CC1(C(CC2C1(CC(C3=C4CCC(=O)C=C4CCC23)C5=CC=C(C=C5)N(C)CCOC6CCC7(C(C6)CC(C8C7CC(C9(C8CCC9C(C)CCC(=O)O)C)O)O)C)C)C)O

InChI

InChI=1S/C55H77NO7/c1-8-22-55(62)33(3)26-45-41-16-12-35-27-38(57)15-17-40(35)50(41)42(31-53(45,55)5)34-10-13-37(14-11-34)56(7)24-25-63-39-21-23-52(4)36(28-39)29-47(58)51-44-19-18-43(32(2)9-20-49(60)61)54(44,6)48(59)30-46(51)52/h10-11,13-14,27,32-33,36,39,41-48,51,58-59,62H,9,12,15-21,23-26,28-31H2,1-7H3,(H,60,61)