Cas no 67510-74-1 ((5alpha)-6,7,8,14-tetradehydro-4,5-epoxymorphinan-3,6-diol)
67510-74-1 structure
Product Name:(5alpha)-6,7,8,14-tetradehydro-4,5-epoxymorphinan-3,6-diol
CAS No:67510-74-1
MF:C16H15NO3
MW:269.295204401016
CID:1723720
PubChem ID:5491647
Update Time:2025-04-21
(5alpha)-6,7,8,14-tetradehydro-4,5-epoxymorphinan-3,6-diol Chemical and Physical Properties
Names and Identifiers
-
- (5alpha)-6,7,8,14-tetradehydro-4,5-epoxymorphinan-3,6-diol
- (4R,7aR,12bS)-1,2,3,4,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-7,9-diol
- 6,7,8,14-Tetradehydro-4,5-epoxymorphinan-3,6-diol
- 67510-74-1
- Dehydronormorphine
- Morphinan-3,6-diol, 6,7,8,14-tetradehydro-4,5-epoxy-, (5alpha)-
- DTXSID40986894
-
- Inchi： 1S/C16H15NO3/c18-11-3-1-8-7-10-9-2-4-12(19)15-16(9,5-6-17-10)13(8)14(11)20-15/h1-4,10,15,17-19H,5-7H2/t10-,15+,16+/m1/s1
- InChI Key： XVRMRZPKGNTLIN-VFVAKGGASA-N
- SMILES： O1C2=C(C=CC3C[C@@H]4C5=CC=C([C@H]1[C@]5(CCN4)C=32)O)O
Computed Properties
- Exact Mass: 269.10525
- Monoisotopic Mass: 269.105193
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 20
- Rotatable Bond Count: 0
- Complexity: 528
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 3
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 61.7
- XLogP3: 1.1
Experimental Properties
- Density: 1.54
- Boiling Point: 518.1°C at 760 mmHg
- Flash Point: 267.1°C
- Refractive Index: 1.772
- PSA: 61.72
(5alpha)-6,7,8,14-tetradehydro-4,5-epoxymorphinan-3,6-diol Related Literature
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
-
Yu Long,Bing Yuan,Jianrui Niu,Xin Tong,Jiantai Ma New J. Chem., 2015,39, 1179-1185
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
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