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(1R,4Z,6R,7S,11R,17S)-4-ethylidene-7-hydroxy-6,7-dimethyl-2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadecane-3,8-dione

PubChem CID: 11900051

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Prediction Swissadme 0.0
Topological Polar Surface Area 76.1
Hydrogen Bond Donor Count 1.0
Inchi Key BTHCJHQOYFUIMG-APAQCFQISA-N
Fcsp3 0.7777777777777778
Rotatable Bond Count 0.0
Heavy Atom Count 24.0
Compound Name (1R,4Z,6R,7S,11R,17S)-4-ethylidene-7-hydroxy-6,7-dimethyl-2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadecane-3,8-dione
Prediction Hob Swissadme 0.0
Exact Mass 337.189
Formal Charge 0.0
Monoisotopic Mass 337.189
Isotope Atom Count 0.0
Molecular Complexity 560.0
Hydrogen Bond Acceptor Count 6.0
Molecular Weight 337.4
Database Name cmaup_ingredients;pubchem
Covalent Unit Count 1.0
Defined Atom Stereocenter Count 5.0
Iupac Name (1R,4Z,6R,7S,11R,17S)-4-ethylidene-7-hydroxy-6,7-dimethyl-2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadecane-3,8-dione
Total Atom Stereocenter Count 5.0
Total Bond Stereocenter Count 1.0
Prediction Hob 1.0
Esol -3.1478792
Inchi InChI=1S/C18H27NO5/c1-4-12-9-11(2)18(3,22)17(21)23-10-13-5-7-19-8-6-14(15(13)19)24-16(12)20/h4,11,13-15,22H,5-10H2,1-3H3/b12-4-/t11-,13+,14-,15+,18+/m1/s1
Smiles C/C=C\1/C[C@H]([C@](C(=O)OC[C@@H]2CCN3[C@@H]2[C@@H](CC3)OC1=O)(C)O)C
Xlogp 1.9
Defined Bond Stereocenter Count 1.0
Molecular Formula C18H27NO5

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