Description
Cynatratoside A is a natural steroid compound found in several plants.
Synonyms
(2aR,4aS,6aR,10S,12aR,12bS,14bR)-2a,12a-Dimethyl-6-oxo-2a,4,4a,6a,7,9,10,11,12,12a,12b,13,14,14b-tetradecahydro-6H-2,3,5-trioxapentaleno[1',6':5,6,7]cyclonona[1,2-a]naphthalen-10-yl 2,6-dideoxy-3-O-methyl-β-D-arabino-hexopyranoside
IUPAC Name
8-(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-5,19-dimethyl-15,18,20-trioxapentacyclo[14.5.1.04,13.05,10.019,22]docosa-1(21),10-dien-14-one
Molecular Formula
C28H40O8
Canonical SMILES
CC1C(C(CC(O1)OC2CCC3(C4CCC5=COC6(C5C(CO6)OC(=O)C4CC=C3C2)C)C)OC)O
InChI
InChI=1S/C28H40O8/c1-15-25(29)21(31-4)12-23(34-15)35-18-9-10-27(2)17(11-18)6-7-19-20(27)8-5-16-13-32-28(3)24(16)22(14-33-28)36-26(19)30/h6,13,15,18-25,29H,5,7-12,14H2,1-4H3
InChIKey
QANVGLGBLJFUIP-UHFFFAOYSA-N
Boiling Point
676.5±55.0 °C(Predicted)
Melting Point
237-239 °C (methanol chloroform )
pKa
13.55±0.70(Predicted)