Description
Cycloart-25-ene-3β,24-diol isolated from the herbs of Euphorbia segetalis.
Synonyms
(9β)-9,19-Cyclo-5α-lanost-25-ene-3β,24-diol; 9,19-cyclolanost-25-ene-3,24-diol; (2aR,3R,5aS,5bS,7aR,9S,11aR,12aS)-3-((2R)-5-hydroxy-6-methylhept-6-en-2-yl)-2a,5a,8,8-tetramethyltetradecahydro-1H,12H-cyclopenta[a]cyclopropa[e]phenanthren-9-ol
IUPAC Name
(1S,3R,6S,8R,11S,12S,15R,16R)-15-[(2R)-5-hydroxy-6-methylhept-6-en-2-yl]-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-ol
Molecular Formula
C30H50O2
Canonical SMILES
CC(CCC(C(=C)C)O)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(C5(C)C)O)C)C
InChI
InChI=1S/C30H50O2/c1-19(2)22(31)9-8-20(3)21-12-14-28(7)24-11-10-23-26(4,5)25(32)13-15-29(23)18-30(24,29)17-16-27(21,28)6/h20-25,31-32H,1,8-18H2,2-7H3/t20-,21-,22?,23+,24+,25+,27-,28+,29-,30+/m1/s1
InChIKey
MHGLNDDJLDJDBG-GSYFYXRESA-N
Boiling Point
537.7±23.0 °C(Predicted)
Melting Point
200-203 °C(Solv: ethyl acetate (141-78-6))
Density
1.05±0.1 g/cm3(Predicted)
pKa
14.48±0.20(Predicted)