Description
Borapetoside E is isolated from Tinospora.
Synonyms
1,4-Methano-2-benzoxepin-9-carboxylic acid, 5-[(2S)-2-(3-furanyl)-2-(β-D-glucopyranosyloxy)ethyl]-1,3,4,5,5a,6,7,9a-octahydro-5,9a-dimethyl-3-oxo-, methyl ester, (1S,4R,5S,5aS,9aR)-; Methyl (1S,2R,7S,8S,9R)-8-[(2S)-2-(3-furyl)-2-(β-D-glucopyranosyloxy)ethyl]-2,8-dimethyl-10-oxo-11-oxatricyclo[7.2.1.02,7]dodec-3-ene-3-carboxylate
IUPAC Name
methyl (1S,2R,7S,8S,9R)-8-[(2S)-2-(furan-3-yl)-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]-2,8-dimethyl-10-oxo-11-oxatricyclo[7.2.1.02,7]dodec-3-ene-3-carboxylate
Molecular Formula
C27H36O11
Canonical SMILES
CC1(C2CCC=C(C2(C3CC1C(=O)O3)C)C(=O)OC)CC(C4=COC=C4)OC5C(C(C(C(O5)CO)O)O)O
InChI
InChI=1S/C27H36O11/c1-26(15-9-19(38-24(15)33)27(2)14(23(32)34-3)5-4-6-18(26)27)10-16(13-7-8-35-12-13)36-25-22(31)21(30)20(29)17(11-28)37-25/h5,7-8,12,15-22,25,28-31H,4,6,9-11H2,1-3H3/t15-,16-,17+,18-,19-,20+,21-,22+,25+,26+,27-/m0/s1
InChIKey
ZXGKLWUOGQDOTD-PWXJPOJNSA-N
Boiling Point
711.1±60.0°C (Predicted)
Density
1.41±0.1 g/cm3 (Predicted)
Solubility
Soluble in Acetone, Chloroform, Dichloromethane, DMSO, Ethyl Acetate
pKa
12.88±0.70(Predicted)