Cas no 20267-87-2 ((+/-)-Chelidonine)
(+/-)-Chelidonine structure
Product Name:(+/-)-Chelidonine
CAS No:20267-87-2
MF:C20H19NO5.H2O
MW:371.38384
CID:51503
Update Time:2024-02-29
(+/-)-Chelidonine Chemical and Physical Properties
Names and Identifiers
-
- (+/-)-Chelidonine
- CHELIDONINE MONOHYDRATE*
- dl-Chelidonin
-
- MDL： MFCD00069660
- Inchi： InChI=1S/C20H19NO5/c1-21-7-13-11(2-3-15-20(13)26-9-23-15)18-14(22)4-10-5-16-17(25-8-24-16)6-12(10)19(18)21/h2-3,5-6,14,18-19,22H,4,7-9H2,1H3/t14-,18-,19+/m0/s1
- InChI Key： GHKISGDRQRSCII-ZOCIIQOWSA-N
- SMILES： CN1CC2=C3C(=CC=C2[C@H]4[C@H](CC5=CC6=C(C=C5[C@H]41)OCO6)O)OCO3
Computed Properties
- Exact Mass: 371.13700
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 26
- Rotatable Bond Count: 0
Experimental Properties
- Melting Point: 135-136?°C(lit.)
- PSA: 69.62000
- LogP: 2.20490
- Merck: 13,2061
(+/-)-Chelidonine Related Literature
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Chandran Rajendran,Govindaswamy Satishkumar,Charlotte Lang,Eric M. Gaigneaux Catal. Sci. Technol., 2020,10, 2583-2592
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Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
-
Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
-
José M. Rivera,Mariana Martín-Hidalgo,Jean C. Rivera-Ríos Org. Biomol. Chem., 2012,10, 7562-7565
-
Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
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