Description
Rauvotetraphylline B is an alkaloid isolated from Rauvotetraphyllum.
Synonyms
Rauvotetraphylline B; 1422506-50-0; (2S,3R,4S,5S,6R)-2-[[(1S,12S,14S,15E,16R)-13-(4,6-dimethylpyridin-2-yl)-15-ethylidene-3,17-diazapentacyclo[12.3.1.02,10.04,9.012,17]octadeca-2(10),4,6,8-tetraen-16-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
IUPAC Name
(2S,3R,4S,5S,6R)-2-[[(1S,12S,14S,15E,16R)-13-(4,6-dimethylpyridin-2-yl)-15-ethylidene-3,17-diazapentacyclo[12.3.1.02,10.04,9.012,17]octadeca-2(10),4,6,8-tetraen-16-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Molecular Formula
C31H37N3O6
Canonical SMILES
CC=C1C2CC3C4=C(CC(C2C5=CC(=CC(=N5)C)C)N3C1OC6C(C(C(C(O6)CO)O)O)O)C7=CC=CC=C7N4
InChI
InChI=1S/C31H37N3O6/c1-4-16-18-11-23-26-19(17-7-5-6-8-20(17)33-26)12-22(25(18)21-10-14(2)9-15(3)32-21)34(23)30(16)40-31-29(38)28(37)27(36)24(13-35)39-31/h4-10,18,22-25,27-31,33,35-38H,11-13H2,1-3H3/b16-4+/t18-,22+,23+,24-,25?,27-,28+,29-,30-,31+/m1/s1
InChIKey
UCCMUMCXKRGZPN-LEPJVDAWSA-N
Boiling Point
784.7±60.0°C (Predicted)
Density
1.44±0.1 g/cm3(Predicted)
pKa
12.85±0.70(Predicted)