CHEBI:6989 - Montanin

ChEBI IDCHEBI:6989
ChEBI NameMontanin
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC32H48O8
Net Charge0
Average Mass560.728
Monoisotopic Mass560.33492
SMILES[H][C@@]12C=C(C)C(=O)[C@@]1(O)[C@H](O)[C@@]1(CO)O[C@@]1([H])[C@@]1([H])[C@H]3OC4(CCCCCCCCCCC)O[C@@]21[C@H](C)C[C@]3(C(=C)C)O4
InChIInChI=1S/C32H48O8/c1-6-7-8-9-10-11-12-13-14-15-30-38-25-23-26-29(18-33,37-26)27(35)31(36)22(16-20(4)24(31)34)32(23,40-30)21(5)17-28(25,39-30)19(2)3/h16,21-23,25-27,33,35-36H,2,6-15,17-18H2,1,3-5H3/t21-,22-,23-,25-,26+,27-,28-,29+,30?,31-,32+/m1/s1
InChIKeySNFRINMTRPQQLE-JQWAAABSSA-N
ChEBI Ontology
Outgoing Relation(s)
Montanin (CHEBI:6989) is a diterpenoid (CHEBI:23849)
Synonym  Source
MontaninKEGG COMPOUND
Manual XrefsDatabases
C09135KEGG COMPOUND
C00003455KNApSAcK
Registry NumbersSources
CAS:66583-55-9KEGG COMPOUND