Cas no 1186496-67-2 (subdaphnidine A)
subdaphnidine A structure
Product Name:subdaphnidine A
CAS No:1186496-67-2
MF:C25H33NO5
MW:427.533227682114
CID:2015381
PubChem ID:25212621
Update Time:2025-04-21
subdaphnidine A Chemical and Physical Properties
Names and Identifiers
-
- subdaphnidine A
- 1186496-67-2
- CHEMBL1078196
- methyl (1R,2R,3R,5R,6S,10S,16R,17R)-2-(acetyloxymethyl)-6-methyl-20-oxo-8-azahexacyclo(11.5.1.11,5.02,10.03,8.016,19)icos-13(19)-ene-17-carboxylate
- methyl (1R,2R,3R,5R,6S,10S,16R,17R)-2-(acetyloxymethyl)-6-methyl-20-oxo-8-azahexacyclo[11.5.1.11,5.02,10.03,8.016,19]icos-13(19)-ene-17-carboxylate
-
- Inchi： 1S/C25H33NO5/c1-13-10-26-11-16-6-4-15-5-7-17-19(23(29)30-3)9-24(21(15)17)22(28)18(13)8-20(26)25(16,24)12-31-14(2)27/h13,16-20H,4-12H2,1-3H3
- InChI Key： AKKGRTXQCJCVRL-UHFFFAOYSA-N
- SMILES： COC(C1C2C3=C(CCC4C5(C3(C(=O)C3CC5N(CC3C)C4)C1)COC(=O)C)CC2)=O
Computed Properties
- Exact Mass: 427.23587315Da
- Monoisotopic Mass: 427.23587315Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 31
- Rotatable Bond Count: 5
- Complexity: 910
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 8
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.531
- Topological Polar Surface Area: 72.9?2
subdaphnidine A Related Literature
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Xin Li,Liangliang Zhu,Sai Duan,Yanli Zhao,Hans ?gren Phys. Chem. Chem. Phys., 2014,16, 23854-23860
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
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5. An integrated microfluidic 3D tumor system for parallel and high-throughput chemotherapy evaluation?Dan Liu,Rui Hu,Zhongchao Huang,Meilin Sun,Kai Han Analyst, 2020,145, 6447-6455
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