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CHEBI:69561 - lobophytumin C

ChEBI IDCHEBI:69561
ChEBI Namelobophytumin C
Stars
DefinitionA diterpenoid that is decahydronaphthalene substituted by a methyl group at position 4a, a methylidiene group at position 1 and a 6-methylhepta-1,5-dien-2-yl group at position 7 (the 4aS,7S,8aR-stereoisomer). It has been isolated from the Hainan soft coral Lobophytum cristatum.
Last Modified1 October 2014
DownloadsMolfile
FormulaC20H32
Net Charge0
Average Mass272.476
Monoisotopic Mass272.25040
SMILES[H][C@]12C[C@@H](C(=C)CCC=C(C)C)CC[C@]1(C)CCCC2=C
InChIInChI=1S/C20H32/c1-15(2)8-6-9-16(3)18-11-13-20(5)12-7-10-17(4)19(20)14-18/h8,18-19H,3-4,6-7,9-14H2,1-2,5H3/t18-,19+,20-/m0/s1
InChIKeyLOGCGPRBNXVHDX-ZCNNSNEGSA-N
Species of MetaboliteComponentSourceComments
Lobophytum cristatum (WORMS:288778) - PubMed (21954851) small frozen pieces of sample were extracted with acetone.
Roles Classification
Biological Role:
coral metabolite  Any animal metabolite produced during a metabolic reaction in corals (marine invertebrates).
ChEBI Ontology
Outgoing Relation(s)
lobophytumin C (CHEBI:69561) has role coral metabolite (CHEBI:76498)
lobophytumin C (CHEBI:69561) is a carbobicyclic compound (CHEBI:36785)
lobophytumin C (CHEBI:69561) is a diterpenoid (CHEBI:23849)
IUPAC Name 
(4aS,7S,8aR)-4a-methyl-7-(6-methylhepta-1,5-dien-2-yl)-1-methylidenedecahydronaphthalene
Registry NumbersSources
Reaxys:21975508Reaxys
Citations