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CHEBI:210578 - Roseolactone B

ChEBI IDCHEBI:210578
ChEBI NameRoseolactone B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC30H42O5
Net Charge0
Average Mass482.661
Monoisotopic Mass482.30322
SMILESCC1=C[C@@H](C[C@@H](C)[C@H]2CC[C@@]3(C)[C@@H]4Cc5occ(C)c5[C@@H](CCC(=O)O)[C@]4(C)CC[C@]23C)OC1=O
InChIInChI=1S/C30H42O5/c1-17(13-20-14-18(2)27(33)35-20)21-9-10-30(6)24-15-23-26(19(3)16-34-23)22(7-8-25(31)32)28(24,4)11-12-29(21,30)5/h14,16-17,20-22,24H,7-13,15H2,1-6H3,(H,31,32)/t17-,20-,21-,22-,24-,28+,29-,30+/m1/s1
InChIKeyNZDMKUSCAAGFBL-VMXIZWPUSA-N
Species of MetaboliteComponentSourceComments
Russula aurora (ncbitaxon:2778750) - DOI (10.1002/ejoc.201402208)
ChEBI Ontology
Outgoing Relation(s)
Roseolactone B (CHEBI:210578) is a terpene lactone (CHEBI:37668)
IUPAC Name 
3-[(3R,3aR,5aR,6S,10aR,10bS)-3a,5a,7,10b-tetramethyl-3-[(2R)-1-[(2R)-4-methyl-5-oxo-2H-uran-2-yl]propan-2-yl]-1,2,3,4,5,6,10,10a-octahydroindeno[5,4-][1]benzouran-6-yl]propanoic acid
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