(16R)-18,19-Didehydro-17-hydroxycorynan-16-carboxylic acid methyl ester

For Research Use Only.
Category
Alkaloids
Cat.No.
NP0124
CAS
1245-00-7
Product Name
(16R)-18,19-Didehydro-17-hydroxycorynan-16-carboxylic acid methyl ester
Structure

Product Details

Description
Sitsirikine isolated from the herbs of Catharanthus roseus.
Synonyms
(16R)-18,19-Didehydro-17-hydroxycorynan-16-carboxylic acid methyl ester
IUPAC Name
methyl (2R)-2-[(2S,3R,12bS)-3-ethenyl-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-2-yl]-3-hydroxypropanoate
Molecular Weight
354.5
Molecular Formula
C21H26N2O3
Canonical SMILES
COC(=O)C(CO)C1CC2C3=C(CCN2CC1C=C)C4=CC=CC=C4N3
InChI
InChI=1S/C21H26N2O3/c1-3-13-11-23-9-8-15-14-6-4-5-7-18(14)22-20(15)19(23)10-16(13)17(12-24)21(25)26-2/h3-7,13,16-17,19,22,24H,1,8-12H2,2H3/t13-,16-,17-,19-/m0/s1
InChIKey
JGKCGXVOATXMRM-UHEFJODHSA-N
Boiling Point
545.4±50.0°C (Predicted)
Melting Point
239-241°C (Decomposition)
Purity
0.95
Density
1.25±0.1 g/cm3(Predicted)
Appearance
Powder
Form
Powder
pKa
14.30±0.10(Predicted)
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