Description
Minisecolide D is a natural compound primarily used in the research of gastrointestinal disorders functioning as a selective antagonist of gastric acid secretion.
Synonyms
Minisecolide D; AKOS040762560; 1967030-78-9
IUPAC Name
(1R,4S,5R,10R,11R,13R,14R,17R,18R,20S)-18-[(2R)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]-10,11,14,20-tetrahydroxy-5,18-dimethyl-19,21-dioxapentacyclo[12.6.1.01,17.04,13.05,10]henicos-7-en-6-one
Molecular Formula
C28H38O9
Canonical SMILES
CC1=C(C(=O)OC(C1)C2(C3CCC4(C5CC(C6(CC=CC(=O)C6(C5CCC3(O4)C(O2)O)C)O)O)O)C)C
InChI
InChI=1S/C28H38O9/c1-14-12-21(35-22(31)15(14)2)25(4)18-8-11-28(34)17-13-20(30)27(33)9-5-6-19(29)24(27,3)16(17)7-10-26(18,37-28)23(32)36-25/h5-6,16-18,20-21,23,30,32-34H,7-13H2,1-4H3/t16-,17+,18+,20+,21+,23-,24-,25+,26+,27-,28+/m0/s1
InChIKey
IMULXTBMUIFZIR-VJIDNEPVSA-N
Boiling Point
741.1±60.0 °C at 760 mmHg