Description
Borreriagenin isolated from the herbs of Borreria verticillata.
IUPAC Name
(3R,3aS,4S,6aR)-3,4,5-tris(hydroxymethyl)-3,3a,4,6a-tetrahydrocyclopenta[b]furan-2-one
Molecular Formula
C10H14O5
Canonical SMILES
C1=C(C(C2C1OC(=O)C2CO)CO)CO
InChI
InChI=1S/C10H14O5/c11-2-5-1-8-9(6(5)3-12)7(4-13)10(14)15-8/h1,6-9,11-13H,2-4H2/t6-,7+,8+,9+/m1/s1
InChIKey
MOUZVDVFZGJOOS-XGEHTFHBSA-N
Boiling Point
511.8±45.0°C (Predicted)
Density
1.360±0.06 g/cm3(Predicted)
pKa
14.31±0.10(Predicted)