Chemical Properties of Doronine (otonecine-acetyljaconine)

Doronine (otonecine-acetyljaconine)

PDF Excel Molecule Calculator
InChI
InChI=1S/C21H30ClNO8/c1-12-10-21(28,13(2)22)19(27)30-16-7-9-23(5)8-6-15(17(16)25)11-29-18(26)20(12,4)31-14(3)24/h6,12-13,16,28H,7-11H2,1-5H3/b15-6-/t12-,13?,16-,20-,21?/m1/s1
InChI Key
VGRSISYREBBIAL-HOVRZMKWSA-N
Formula
C21H30ClNO8
SMILES
CC(=O)OC1(C)C(=O)OCC2=CCN(C)CCC(OC(=O)C(O)(C(C)Cl)CC1C)C2=O
Molecular Weight1
459.92
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry. Do not hesitate to contact us for your projects.

Physical Properties

Property Value Unit Source
log10WS -2.32 Crippen Calculated Property
logPoct/wat 0.992 Crippen Calculated Property
McVol 332.710 ml/mol McGowan Calculated Property
Inp [2780.00; 2789.00]   Show Hide
Inp 2780.00 NIST
Inp 2789.00 NIST

Similar Compounds

4,8-Secosenecionan-8,11,16-trione, 15,20-dihydro-12-(acetyloxy)-20-chloro-15-hydroxy-4-methyl-. Desacetyldoronine (otonecin-jaconine). Floricaline (otonecine-diacetyljacoline). Floridanine (otonecine-acetyljacoline). Florosenine (otonecine-acetyljacobine). Otosenine. Florosenine. O-Acetylcrotavernine. Crinan-11-ol, 1,2-didehydro-3-methoxy-, (3«beta»,5«alpha»,11R,13«beta»,19«alpha»)-. Ajmaline. Galantamin. 3-propionyl-morphine. (1,S,2S,3R,5S)-(+)-Pinanediol, , 2-(N,N-dimethylaminomethyl)-ferroceneboronate. Brucine. TCN.

Find more compounds similar to Doronine (otonecine-acetyljaconine).

Sources

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.