(2S)-2,6-bis(azanyl)hexanoic acid; (5S,8R,9S,10S,13S,14S,17S)-1,10,13-trimethyl-17-oxidanyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one

Systemtic Name: (2S)-2,6-bis(azanyl)hexanoic acid; (5S,8R,9S,10S,13S,14S,17S)-1,10,13-trimethyl-17-oxidanyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one Openeye Name: (2S)-2,6-diaminohexanoic acid; (5S,8R,9S,10S,13S,14S,17S)-17-hydroxy-1,10,13-trimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one CAS Name: (2S)-2,6-diaminohexanoic acid; (5S,8R,9S,10S,13S,14S,17S)-17-hydroxy-1,10,13-trimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one IUPAC Name: (2S)-2,6-diaminohexanoic acid; (5S,8R,9S,10S,13S,14S,17S)-17-hydroxy-1,10,13-trimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one Traditional Name: (2S)-2,6-diaminohexanoic acid; (5S,8R,9S,10S,13S,14S,17S)-17-hydroxy-1,10,13-trimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one Formula: C26H44N2O4 MolecularWeight: 448.63856

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)CC2C1(C3CCC4(C(C3CC2)CCC4O)C)C.C(CCN)CC(C(=O)O)N

Isomeric SMILES

CC1=CC(=O)C[C@H]2[C@]1([C@H]3CC[C@]4([C@H]([C@@H]3CC2)CC[C@@H]4O)C)C.C(CCN)C[C@@H](C(=O)O)N

InChI

InChI=1S/C20H30O2.C6H14N2O2/c1-12-10-14(21)11-13-4-5-15-16-6-7-18(22)19(16,2)9-8-17(15)20(12,13)3;7-4-2-1-3-5(8)6(9)10/h10,13,15-18,22H,4-9,11H2,1-3H3;5H,1-4,7-8H2,(H,9,10)/t13-,15-,16-,17-,18-,19-,20-;5-/m00/s1