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- 61788-47-4
Cocinic acid | 61788-47-4
Morphinan-3,6-diol, 7,8-didehydro-4,5-epoxy-17-methyl-, (5alpha,6alpha)-, acetate (salt)
CAS No.: 596-15-6
7-methoxy-3-methyl-9-phenylmethoxy-2,4,4a,7,7a,13-hexahydro-1h-4,12-methanobenzofuro[3,2-e]isoquinoline;hydrochloride
CAS No.: 7468-55-5
- Cocinic acid
- Coconut oil fatty acid
- Coconut oil fatty acidCoconut oil fatty acidCoconut oil fatty acid
- EP-4000
- coconut acid oil
- 61788-47-4
- (4R,4aR,7S,7aR,12bS)-7-hydroxy-9-methoxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-11-carboxylic acid
- InChIKey：PZKXRDPRLQDAFK-IWKDVGJASA-N
- Inchi：InChI=1S/C19H21NO5/c1-20-6-5-19-11-3-4-13(21)17(19)25-16-14(24-2)8-10(18(22)23)9(15(16)19)7-12(11)20/h3-4,8,11-13,17,21H,5-7H2,1-2H3,(H,22,23)/t11-,12+,13-,17-,19-/m0/s1
- SMILES：COC1C=C(C(=O)O)C2=C3[C@]45CCN(C)[C@H](C2)[C@@H]4C=C[C@@H]([C@@H]5OC=13)O
Computed Properties
- Exact Mass: 343.142
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 6
- Rotatable Bond Count: 2
- Monoisotopic Mass: 343.142
- Heavy Atom Count: 25
- Complexity: 623
- Isotope Atom Count: 0
- Defined Atom Stereocenter Count: 5
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Covalently-Bonded Unit Count: 1
- XLogP3: _1.6
- Topological Polar Surface Area: 79.2A^2
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