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CHEBI:211717 - Tiancilactone F

ChEBI IDCHEBI:211717
ChEBI NameTiancilactone F
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H44ClNO6
Net Charge0
Average Mass562.147
Monoisotopic Mass561.28572
SMILESCNc1ccc(Cl)cc1C(=O)OC[C@@]1(C)[C@@H]2CC[C@@]3(C)[C@H](C[C@H](OC)[C@@H](C)[C@@H]3/C(C=O)=C/O)[C@@]2(C)CC[C@@H]1O
InChIInChI=1S/C31H44ClNO6/c1-18-23(38-6)14-25-29(2)12-10-26(36)31(4,17-39-28(37)21-13-20(32)7-8-22(21)33-5)24(29)9-11-30(25,3)27(18)19(15-34)16-35/h7-8,13,15-16,18,23-27,33-34,36H,9-12,14,17H2,1-6H3/b19-15+/t18-,23+,24-,25-,26+,27-,29+,30+,31+/m1/s1
InChIKeyJYMSLMAIEGCNCF-MBLQLIRUSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies CB03234 (ncbitaxon:1703937) - PubMed (29806086)
ChEBI Ontology
Outgoing Relation(s)
Tiancilactone F (CHEBI:211717) is a diterpenoid (CHEBI:23849)
IUPAC Name 
[(1R,2S,4aR,4bR,6S,7S,8S,8aS,10aR)-2-hydroxy-8-[(Z)-1-hydroxy-3-oxoprop-1-en-2-yl]-6-methoxy-1,4a,7,8a-tetramethyl-3,4,4b,5,6,7,8,9,10,10a-decahydro-2H-phenanthren-1-yl]methyl 5-chloro-2-(methylamino)benzoate