Cas no 26287-94-5 (1,2,10,11,12-Pentahydroxyhomoaporphine; (S)-form, 2,10,11,12-Tetra-Me ether)
26287-94-5 structure
Product Name:1,2,10,11,12-Pentahydroxyhomoaporphine; (S)-form, 2,10,11,12-Tetra-Me ether
CAS No:26287-94-5
MF:C22H27NO5
MW:385.453486680985
CID:6717491
Update Time:2024-03-03
1,2,10,11,12-Pentahydroxyhomoaporphine; (S)-form, 2,10,11,12-Tetra-Me ether Chemical and Physical Properties
Names and Identifiers
-
- (+)-Kreysigine
- 1,2,10,11,12-Pentahydroxyhomoaporphine; (S)-form, 2,10,11,12-Tetra-Me ether
-
- Inchi： 1S/C22H27NO5/c1-23-9-8-13-10-15(25-2)20(24)19-17(13)14(23)7-6-12-11-16(26-3)21(27-4)22(28-5)18(12)19/h10-11,14,24H,6-9H2,1-5H3
- InChI Key： SXGHNTVPXYHQSN-UHFFFAOYSA-N
- SMILES： COC1C(O)=C2C3C(CCC4C2=C(OC)C(OC)=C(OC)C=4)N(C)CCC=3C=1
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 28
- XLogP3: 1.766
1,2,10,11,12-Pentahydroxyhomoaporphine; (S)-form, 2,10,11,12-Tetra-Me ether Related Literature
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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