Cas no 58072-89-2 ((2alpha,6alpha,11R*)-3-Benzyl-1,2,3,4,5,6-hexahydro-6,11-dimethyl-2,6-methano-3-benzazocin-8-ol)
58072-89-2 structure
Product Name:(2alpha,6alpha,11R*)-3-Benzyl-1,2,3,4,5,6-hexahydro-6,11-dimethyl-2,6-methano-3-benzazocin-8-ol
CAS No:58072-89-2
MF:C21H25NO
MW:307.429305791855
CID:948008
Update Time:2023-08-02
(2alpha,6alpha,11R*)-3-Benzyl-1,2,3,4,5,6-hexahydro-6,11-dimethyl-2,6-methano-3-benzazocin-8-ol Chemical and Physical Properties
Names and Identifiers
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- (2alpha,6alpha,11R*)-(.+-)-3-benzyl-1,2,3,4,5,6-hexahydro-6,11-dimethyl-2,6-methano-3-benzazocin-8-ol
- (2alpha,6alpha,11R*)-(+-)-3-Benzyl-1,2,3,4,5,6-hexahydro-6,11-dimethyl-2,6-methano-3-benzazocin-8-ol
- (2alpha,6alpha,11R*)-3-Benzyl-1,2,3,4,5,6-hexahydro-6,11-dimethyl-2,6-methano-3-benzazocin-8-ol
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- Inchi： 1S/C21H25NO/c1-15-20-12-17-8-9-18(23)13-19(17)21(15,2)10-11-22(20)14-16-6-4-3-5-7-16/h3-9,13,15,20,23H,10-12,14H2,1-2H3/t15?,20-,21-/m0/s1
- InChI Key： RPMPAQXGZYLEST-LBTAZEDMSA-N
- SMILES： OC1C=CC2=C(C=1)[C@@]1(C)CCN(CC3C=CC=CC=3)[C@@H](C2)C1C
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 23
- Rotatable Bond Count: 2
- Complexity: 418
- XLogP3: 3.3
- Topological Polar Surface Area: 23.5
(2alpha,6alpha,11R*)-3-Benzyl-1,2,3,4,5,6-hexahydro-6,11-dimethyl-2,6-methano-3-benzazocin-8-ol Related Literature
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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