Description
Bonducellpin D is a natural diterpenoid compound found in several plants.
Synonyms
(3bS,3b1R,5aR,6S,6aR,10S,10aS,10bS)-6a,10-dihydroxy-7,7,10a-trimethyl-4-oxo-3b,3b1,5a,6,6a,7,8,9,10,10a,10b,11-dodecahydro-4H-phenanthro[3,2-b:10,1-b'c']difuran-6-yl acetate;(+)-Bonducellpin D
IUPAC Name
[(1S,8S,11R,12S,13R,17S,18S,19R)-13,17-dihydroxy-14,14,18-trimethyl-9-oxo-4,10-dioxapentacyclo[9.7.1.03,7.08,19.013,18]nonadeca-3(7),5-dien-12-yl] acetate
Molecular Formula
C22H28O7
Canonical SMILES
CC(=O)OC1C2C3C(CC4=C(C3C(=O)O2)C=CO4)C5(C1(C(CCC5O)(C)C)O)C
InChI
InChI=1S/C22H28O7/c1-10(23)28-18-17-16-12(9-13-11(6-8-27-13)15(16)19(25)29-17)21(4)14(24)5-7-20(2,3)22(18,21)26/h6,8,12,14-18,24,26H,5,7,9H2,1-4H3/t12-,14-,15+,16+,17+,18-,21-,22+/m0/s1
InChIKey
WIKUZWCBCFNRHH-ZCQRYNMDSA-N
Boiling Point
518.5±50.0 °C at 760 mmHg
Flash Point
267.4±30.1 °C
Solubility
In vitro:
10 mM in DMSO
Storage
Powder:
-20°C 3 years
4°C 2 years
In solvent:
-80°C 6 months
-20°C 1 months
Vapor Pressure
0.0±1.4 mmHg at 25°C