2-[[(8S,9R,10S,13S,14S,17R)-10,13,17-trimethyl-17-oxidanyl-1,6,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-yl]amino]oxyethanoic acid

Systemtic Name: 2-[[(8S,9R,10S,13S,14S,17R)-10,13,17-trimethyl-17-oxidanyl-1,6,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-yl]amino]oxyethanoic acid Openeye Name: 2-[[(8S,9R,10S,13S,14S,17R)-17-hydroxy-10,13,17-trimethyl-1,6,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-yl]amino]oxyacetic acid CAS Name: 2-[[(8S,9R,10S,13S,14S,17R)-17-hydroxy-10,13,17-trimethyl-1,6,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-yl]amino]oxyacetic acid IUPAC Name: 2-[[(8S,9R,10S,13S,14S,17R)-17-hydroxy-10,13,17-trimethyl-1,6,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-yl]amino]oxyacetic acid Traditional Name: 2-[[(8S,9R,10S,13S,14S,17R)-17-hydroxy-10,13,17-trimethyl-1,6,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-yl]amino]oxyacetic acid Formula: C22H33NO4 MolecularWeight: 375.50172

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC3C(C1CCC2(C)O)CCC4=CC(=CCC34C)NOCC(=O)O

Isomeric SMILES

C[C@]12CC[C@@H]3[C@@H]([C@@H]1CC[C@@]2(C)O)CCC4=CC(=CC[C@@]34C)NOCC(=O)O

InChI

InChI=1S/C22H33NO4/c1-20-9-6-15(23-27-13-19(24)25)12-14(20)4-5-16-17(20)7-10-21(2)18(16)8-11-22(21,3)26/h6,12,16-18,23,26H,4-5,7-11,13H2,1-3H3,(H,24,25)/t16-,17+,18-,20+,21-,22+/m0/s1