Cas no 509-55-7 ((5alpha,8alpha)-6,7-didehydro-4,5-epoxy-3-methoxy-17-methylmorphinan-8-ol)
509-55-7 structure
Product Name:(5alpha,8alpha)-6,7-didehydro-4,5-epoxy-3-methoxy-17-methylmorphinan-8-ol
CAS No:509-55-7
MF:C18H21NO3
MW:299.364245176315
CID:1573354
PubChem ID:5486613
Update Time:2024-03-01
(5alpha,8alpha)-6,7-didehydro-4,5-epoxy-3-methoxy-17-methylmorphinan-8-ol Chemical and Physical Properties
Names and Identifiers
-
- Allopseudocodeine
- (5alpha,8alpha)-6,7-Didehydro-4,5-epoxy-3-methoxy-17-methylmorphinan-8-ol
- Morphinan-8-alpha-ol, 6,7-didehydro-4,5-alpha-epoxy-3-methoxy-17-methyl-
- (5alpha,8alpha)-3-methoxy-17-methyl-6,7-didehydro-4,5-epoxymorphinan-8-ol
- ,8α
- (5alpha,8alpha)-6,7-didehydro-4,5-epoxy-3-methoxy-17-methylmorphinan-8-ol
-
- Inchi： 1S/C18H21NO3/c1-19-8-7-18-14-6-4-12(20)16(18)11(19)9-10-3-5-13(21-2)17(22-14)15(10)18/h3-6,11-12,14,16,20H,7-9H2,1-2H3/t11-,12-,14+,16-,18-/m1/s1
- InChI Key： KYIVACLUFRUFLS-JGWAQYATSA-N
- SMILES： O1C2=C(C=CC3C[C@@H]4[C@@H]5[C@@H](C=C[C@H]1[C@@]5(C=32)CCN4C)O)OC
Computed Properties
- Exact Mass: 299.152144
- Monoisotopic Mass: 299.152144
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 22
- Rotatable Bond Count: 1
- Complexity: 509
- 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
- Topological Polar Surface Area: 41.9
- XLogP3: 1.8
Experimental Properties
- Density: 1.34
- Boiling Point: 466°C at 760 mmHg
- Flash Point: 235.7°C
- Refractive Index: 1.666
(5alpha,8alpha)-6,7-didehydro-4,5-epoxy-3-methoxy-17-methylmorphinan-8-ol Related Literature
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Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
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Cheng Fang,Jinjian Wu,Zahra Sobhani,Md. Al Amin,Youhong Tang Anal. Methods, 2019,11, 163-170
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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Priyambada Nayak,Tanmaya Badapanda,Anil Kumar Singh,Simanchalo Panigrahi RSC Adv., 2017,7, 16319-16331
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