Cas no 36871-86-0 (Stephaboline)
Stephaboline structure
Product Name:Stephaboline
CAS No:36871-86-0
MF:C18H23NO5
MW:333.378925561905
CID:2053688
PubChem ID:615815
Update Time:2025-04-21
Stephaboline Chemical and Physical Properties
Names and Identifiers
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- Stephaboline
- Stephabolin
- 36871-86-0
- 4-methoxy-17-methyl-18-oxa-17-azapentacyclo(8.4.3.18,11.01,10.02,7)octadeca-2(7),3,5-triene-3,11,12-triol
- 4-methoxy-17-methyl-18-oxa-17-azapentacyclo[8.4.3.18,11.01,10.02,7]octadeca-2(7),3,5-triene-3,11,12-triol
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- Inchi： 1S/C18H23NO5/c1-19-8-7-16-6-5-13(20)18(22)17(16,19)9-12(24-18)10-3-4-11(23-2)15(21)14(10)16/h3-4,12-13,20-22H,5-9H2,1-2H3
- InChI Key： NMGRHDVDQIALMW-UHFFFAOYSA-N
- SMILES： COC1C(O)=C2C(C3OC4(C5(C2(CCC4O)CCN5C)C3)O)=CC=1
Computed Properties
- Exact Mass: 333.15762283Da
- Monoisotopic Mass: 333.15762283Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 24
- Rotatable Bond Count: 1
- Complexity: 560
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 5
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -0.176
- Topological Polar Surface Area: 82.4?2
Stephaboline Related Literature
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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4. Estimating and correcting interference fringes in infrared spectra in infrared hyperspectral imagingGhazal Azarfar,Ebrahim Aboualizadeh,Nicholas M. Walter,Simona Ratti,Camilla Olivieri,Alessandra Norici,Michael Nasse,Achim Kohler,Mario Giordano Analyst, 2018,143, 4674-4683
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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