Cas no 7183-82-6 ((+)-α-lumicolchicine)
(+)-α-lumicolchicine structure
Product Name:(+)-α-lumicolchicine
CAS No:7183-82-6
MF:C44H50N2O12
MW:798.87401342392
CID:2705123
PubChem ID:166447167
Update Time:2025-04-21
(+)-α-lumicolchicine Chemical and Physical Properties
Names and Identifiers
-
- (+)-α-lumicolchicine
- (7bR)-7t,10c-Bis-acetylamino-1,2,3,8a,8b,14,15,16-octamethoxy-(7br,8at,9at,16ct,16dc,16et,16fc)-5,6,7,7b,8a,8b,9a,10,11,12,16c,16d,16e,16f-tetradecahydro-bis-(benzo[3',4']cyclohepta[1',2':3,4]cyclobuta)[1,2-c',1',2'-c']cyclobuta[1,2-a,4,3-a']d;(+)-α-Lumicolchicin;α-Lumicolchicin;
- EX-A7757Y
- alpha-Lumicolchicine
- 7183-82-6
-
- Inchi： 1S/C44H50N2O12/c1-17(47)45-21-13-11-19-15-23(51-3)37(53-5)39(55-7)25(19)29-27(21)33-31(29)35-36-32-30-26-20(16-24(52-4)38(54-6)40(26)56-8)12-14-22(46-18(2)48)28(30)34(32)42(50)44(36,58-10)43(35,57-9)41(33)49/h15-16,21-22,31-36H,11-14H2,1-10H3,(H,45,47)(H,46,48)
- InChI Key： HPWDTDJUHQAWMO-UHFFFAOYSA-N
- SMILES： COC1C(OC)=C(OC)C2=C(CCC(C3C4C(C5C(C4=O)(OC)C4(C5C5C6C7C(OC)=C(OC)C(OC)=CC=7CCC(C=6C5C4=O)NC(=O)C)OC)C=32)NC(=O)C)C=1
Computed Properties
- Exact Mass: 798.33600
- Monoisotopic Mass: 798.33637503Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 12
- Heavy Atom Count: 58
- Rotatable Bond Count: 10
- Complexity: 1690
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 10
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.8
- Topological Polar Surface Area: 166?2
Experimental Properties
- PSA: 166.18000
- LogP: 4.30300
(+)-α-lumicolchicine Related Literature
-
Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
-
J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
-
Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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