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CHEBI:211723 - Tiancilactone G

ChEBI IDCHEBI:211723
ChEBI NameTiancilactone G
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SubmitterMetaboLights
DownloadsMolfile
FormulaC30H46ClNO5
Net Charge0
Average Mass536.153
Monoisotopic Mass535.30645
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]3CCO)[C@@]2(C)CC[C@@H]1O
InChIInChI=1S/C30H46ClNO5/c1-18-21(11-14-33)28(2)12-9-24-29(3,25(28)16-23(18)36-6)13-10-26(34)30(24,4)17-37-27(35)20-15-19(31)7-8-22(20)32-5/h7-8,15,18,21,23-26,32-34H,9-14,16-17H2,1-6H3/t18-,21-,23-,24+,25-,26-,28+,29-,30-/m0/s1
InChIKeyWRGXHKIMQGIAGX-CTSXJKPTSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies CB03234 (ncbitaxon:1703937) - PubMed (29806086)
ChEBI Ontology
Outgoing Relation(s)
Tiancilactone G (CHEBI:211723) is a diterpenoid (CHEBI:23849)
IUPAC Name 
[(1R,2S,4aR,4bS,6S,7S,8S,8aR,10aR)-2-hydroxy-8-(2-hydroxyethyl)-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