Description
Glochidone isolated from the herbs of Glochidion puberum L.
Synonyms
Lupa-1,20(29)-dien-3-one
IUPAC Name
(1R,3aR,5aR,5bR,7aR,11aR,11bR,13aR,13bR)-3a,5a,5b,8,8,11a-hexamethyl-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,11b,12,13,13a,13b-dodecahydro-1H-cyclopenta[a]chrysen-9-one
Molecular Formula
C30H46O
Canonical SMILES
CC(=C)C1CCC2(C1C3CCC4C(C3(CC2)C)(CCC5C4(C=CC(=O)C5(C)C)C)C)C
InChI
InChI=1S/C30H46O/c1-19(2)20-11-14-27(5)17-18-29(7)21(25(20)27)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h13,15,20-23,25H,1,9-12,14,16-18H2,2-8H3/t20-,21+,22-,23+,25+,27+,28-,29+,30+/m0/s1
InChIKey
FWBYBHVDDGVPDF-BHMAJAPKSA-N
Boiling Point
489.8±25.0 °C(Predicted)
Melting Point
165-167 °C(Solv: chloroform (67-66-3); methanol (67-56-1); ethyl acetate (141-78-6))
Density
0.984±0.06 g/cm3(Predicted)