Cas no 186805-44-7 (8-alpha-Hydroxy-alpha-ergokryptine)
186805-44-7 structure
Product Name:8-alpha-Hydroxy-alpha-ergokryptine
CAS No:186805-44-7
MF:C32H41N5O6
MW:591.697848081589
CID:6766918
Update Time:2024-03-03
8-alpha-Hydroxy-alpha-ergokryptine Chemical and Physical Properties
Names and Identifiers
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- 8-Hydroxy-alpha-ergokryptine
- 8-alpha-Hydroxy-alpha-ergokryptine
-
- Inchi： 1S/C32H41N5O6/c1-6-18(4)26-27(38)36-12-8-11-24(36)32(42)37(26)29(40)31(43-32,17(2)3)34-28(39)30(41)14-21-20-9-7-10-22-25(20)19(15-33-22)13-23(21)35(5)16-30/h7,9-10,14-15,17-18,23-24,26,33,41-42H,6,8,11-13,16H2,1-5H3,(H,34,39)/t18-,23+,24-,26-,30-,31+,32-/m0/s1
- InChI Key： MXACNXIDKMEXQX-LLPJFVPSSA-N
- SMILES： C1C=C2C3[C@@H](CC4C2=C(NC=4)C=1)N(C)C[C@](O)(C(N[C@@]1(O[C@@]2(O)[C@@H]4CCCN4C([C@@H](N2C1=O)[C@@H](C)CC)=O)C(C)C)=O)C=3
Computed Properties
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 11
- Heavy Atom Count: 43
- XLogP3: 1.43
8-alpha-Hydroxy-alpha-ergokryptine Related Literature
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
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Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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