2-[[3-(3-azanylpropylsulfanyl)-10,13-dimethyl-14-oxidanyl-17-(5-oxidanylidene-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-5-yl]oxy]-2-oxidanylidene-ethanoic acid

Systemtic Name: 2-[[3-(3-azanylpropylsulfanyl)-10,13-dimethyl-14-oxidanyl-17-(5-oxidanylidene-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-5-yl]oxy]-2-oxidanylidene-ethanoic acid Openeye Name: 2-[[3-(3-aminopropylsulfanyl)-14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-5-yl]oxy]-2-oxo-acetic acid CAS Name: 2-[[3-(3-aminopropylthio)-14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-5-yl]oxy]-2-oxoacetic acid IUPAC Name: 2-[[3-(3-aminopropylsulfanyl)-14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-5-yl]oxy]-2-oxoacetic acid Traditional Name: 2-[[3-(3-aminopropylthio)-14-hydroxy-17-(5-keto-2H-furan-3-yl)-10,13-dimethyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-5-yl]oxy]-2-keto-acetic acid Formula: C28H41NO7S MolecularWeight: 535.69264

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC(CC1(CCC3C2CCC4(C3(CCC4C5=CC(=O)OC5)O)C)OC(=O)C(=O)O)SCCCN

Isomeric SMILES

CC12CCC(CC1(CCC3C2CCC4(C3(CCC4C5=CC(=O)OC5)O)C)OC(=O)C(=O)O)SCCCN

InChI

InChI=1S/C28H41NO7S/c1-25-8-4-18(37-13-3-12-29)15-27(25,36-24(33)23(31)32)10-6-21-20(25)5-9-26(2)19(7-11-28(21,26)34)17-14-22(30)35-16-17/h14,18-21,34H,3-13,15-16,29H2,1-2H3,(H,31,32)