Cas no 5008-49-1 (12-epi-15-O-acetylnapelline)
12-epi-15-O-acetylnapelline structure
Product Name:12-epi-15-O-acetylnapelline
CAS No:5008-49-1
MF:C24H35NO4
MW:401.539007425308
CID:2027110
PubChem ID:138756681
Update Time:2025-04-21
12-epi-15-O-acetylnapelline Chemical and Physical Properties
Names and Identifiers
-
- 12-epi-15-O-acetylnapelline
- 12-epi-lucidusculine
- 21-Ethyl-4-methyl-16-methylene-7,20-cycloveatchane-1α,12α,15β-triol 15-acetate
- 5008-49-1
- 7,20-Cycloveatchane-1,12,15-triol, 21-ethyl-4-methyl-16-methylene-, 15-acetate, (1alpha,12alpha,15beta)-
- Lucidusculine
- [(1R,2R,4S,5R,7R,8R,13R,16S,17R)-11-ethyl-4,16-dihydroxy-13-methyl-6-methylidene-11-azahexacyclo[7.7.2.15,8.01,10.02,8.013,17]nonadecan-7-yl] acetate
- ((1R,2R,4S,5R,7R,8R,13R,16S,17R)-11-ethyl-4,16-dihydroxy-13-methyl-6-methylidene-11-azahexacyclo(7.7.2.15,8.01,10.02,8.013,17)nonadecan-7-yl) acetate
-
- Inchi： 1S/C24H35NO4/c1-5-25-11-22(4)7-6-19(28)24-17(22)8-15(20(24)25)23-10-14(16(27)9-18(23)24)12(2)21(23)29-13(3)26/h14-21,27-28H,2,5-11H2,1,3-4H3/t14-,15?,16+,17-,18-,19+,20?,21-,22+,23?,24+/m1/s1
- InChI Key： CZXUYBQFBFSXKM-KYIJNWHNSA-N
- SMILES： O[C@H]1CC[C@@]2(C)CN(CC)C3C4C[C@H]2[C@@]31[C@@H]1C[C@@H]([C@H]2C(=C)[C@H](C41C2)OC(C)=O)O
Computed Properties
- Exact Mass: 401.25660860g/mol
- Monoisotopic Mass: 401.25660860g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 29
- Rotatable Bond Count: 3
- Complexity: 798
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 8
- Undefined Atom Stereocenter Count : 3
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.8
- Topological Polar Surface Area: 70?2
12-epi-15-O-acetylnapelline Related Literature
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Tanya Ostapenko,Peter J. Collings,Samuel N. Sprunt,J. T. Gleeson Soft Matter, 2013,9, 9487-9498
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2. 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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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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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
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Raheleh Torabi,Hedayatollah Ghourchian,Massoud Amanlou Org. Biomol. Chem., 2016,14, 8141-8153
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