Cas no 65846-34-6 (N-acetylnorheroin)
N-acetylnorheroin structure
Product Name:N-acetylnorheroin
CAS No:65846-34-6
MF:C22H23NO6
MW:397.42112660408
CID:962649
PubChem ID:46783592
Update Time:2025-04-19
N-acetylnorheroin Chemical and Physical Properties
Names and Identifiers
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- N-acetylnorheroin
- N,O3,O6-triacetylnormorphine
- Morphinan-3,6-diol, 17-acetyl-7,8-didehydro-4,5-epoxy-, diacetate (ester), (5alpha,6alpha)-
- 65846-34-6
- [(4R,4aR,7S,7aR,12bS)-3-acetyl-9-acetyloxy-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl] acetate
-
- Inchi： 1S/C22H23NO6/c1-11(24)23-9-8-22-15-5-7-18(28-13(3)26)21(22)29-20-17(27-12(2)25)6-4-14(19(20)22)10-16(15)23/h4-7,15-16,18,21H,8-10H2,1-3H3/t15-,16+,18-,21-,22-/m0/s1
- InChI Key： LJFIFOPYTFFRKD-HIFDQRORSA-N
- SMILES： O1C2=C(C=CC3C[C@@H]4[C@@H]5C=C[C@@H]([C@H]1[C@@]5(C=32)CCN4C(C)=O)OC(C)=O)OC(C)=O
Computed Properties
- Exact Mass: 397.15253745g/mol
- Monoisotopic Mass: 397.15253745g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 29
- Rotatable Bond Count: 4
- Complexity: 779
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 5
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1
- Topological Polar Surface Area: 82.1?2
N-acetylnorheroin Related Literature
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
65846-34-6 (N-acetylnorheroin) Related Products
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