Description
Bulleyanin is a natural diterpenoid found in the herbs of Rabdosia bulleyana, which can be solved in Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc.
Synonyms
(1α,3β,5β,7β,8α,9β,10α,11β,12α,13α)-12-Hydroxy-15-oxokaur-16-ene- 1,3,7,11-tetrayl tetraacetate
IUPAC Name
[(1R,2S,4R,6S,8S,9R,10S,11R,12R,13R)-6,8,11-triacetyloxy-12-hydroxy-5,5,9-trimethyl-14-methylidene-15-oxo-2-tetracyclo[11.2.1.01,10.04,9]hexadecanyl] acetate
Molecular Formula
C28H38O10
Canonical SMILES
CC(=O)OC1CC2C(C(CC(C2(C3C14CC(C(C3OC(=O)C)O)C(=C)C4=O)C)OC(=O)C)OC(=O)C)(C)C
InChI
InChI=1S/C28H38O10/c1-12-17-11-28(25(12)34)21(37-15(4)31)9-18-26(6,7)19(35-13(2)29)10-20(36-14(3)30)27(18,8)24(28)23(22(17)33)38-16(5)32/h17-24,33H,1,9-11H2,2-8H3/t17-,18-,19+,20+,21+,22-,23+,24+,27+,28+/m1/s1
InChIKey
UHAGZLPOLNCLEQ-LZHSZMFSSA-N
Boiling Point
600.9±55.0 °C(Predicted)
Density
1.27±0.1 g/cm3(Predicted)
pKa
13.17±0.70(Predicted)