Cas no 254876-70-5 (Delboxine; O8,O14-Di-de-Me)
Delboxine; O8,O14-Di-de-Me structure
Product Name:Delboxine; O8,O14-Di-de-Me
CAS No:254876-70-5
MF:C22H33NO7
MW:423.500772305609
CID:6673305
Delboxine; O8,O14-Di-de-Me Chemical and Physical Properties
Names and Identifiers
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- (+)-14-Demethyltuguaconitine
- Delboxine; O8,O14-Di-de-Me
-
- Inchi： InChI=1S/C22H33NO7/c1-4-23-8-19-13(30-19)6-12(24)21-10-5-9-11(28-2)7-20(26,14(10)15(9)25)22(27,18(21)23)17(29-3)16(19)21/h9-18,24-27H,4-8H2,1-3H3
- InChI Key： LQCJJMPZGLBYHH-UHFFFAOYSA-N
- SMILES： CCN1CC23OC2CC(O)C24C5CC6C(O)C5C(O)(CC6OC)C(O)(C(OC)C32)C14 |TLB:1:2:28:7.6.8,THB:23:29:28:7.6.8,2:29:28.25:17.16.11,15:14:11.12:17.19.20|
Computed Properties
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 30
- XLogP3: -1.44
Delboxine; O8,O14-Di-de-Me Related Literature
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Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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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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Richa Sardessai,Shobhana Krishnaswamy,Mysore S. Shashidhar CrystEngComm, 2012,14, 8010-8016
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
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