Description
Adenostemmoside A is a natural compound with anti-inflammatory and anti-tumor attributes assuming a paramount role in studying the intricacies of inflammatory diseases.
Synonyms
Kaur-16-en-18-oic acid, 15-(acetyloxy)-11-hydroxy-, β-D-glucopyranosyl ester, (4α,11β,15β)- (9CI)
IUPAC Name
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1R,4S,5R,9R,10S,11S,13S,15R)-15-acetyloxy-11-hydroxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylate
Molecular Formula
C28H42O10
Canonical SMILES
CC(=O)OC1C(=C)C2CC(C3C1(C2)CCC4C3(CCCC4(C)C(=O)OC5C(C(C(C(O5)CO)O)O)O)C)O
InChI
InChI=1S/C28H42O10/c1-13-15-10-16(31)22-26(3)7-5-8-27(4,18(26)6-9-28(22,11-15)23(13)36-14(2)30)25(35)38-24-21(34)20(33)19(32)17(12-29)37-24/h15-24,29,31-34H,1,5-12H2,2-4H3/t15-,16+,17-,18+,19-,20+,21-,22+,23-,24+,26-,27-,28-/m1/s1
InChIKey
OQYSULZKSHJPKZ-XHDYRJEISA-N
Boiling Point
670.2±55.0 °C at 760 mmHg