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CHEBI:182180 - [(2S,3R,4S)-2-[(3R,4Ar,6S,12bR)-12-hydroxy-3-(2-hydroxypropan-2-yl)-6,12b-dimethyl-8,11-dioxo-2,3,4a,5,6,6a,12,12a-octahydro-1H-pyrano[3,2-a]xanthen-9-yl]-4-methylhexan-3-yl] acetate

ChEBI IDCHEBI:182180
ChEBI Name[(2S,3R,4S)-2-[(3R,4Ar,6S,12bR)-12-hydroxy-3-(2-hydroxypropan-2-yl)-6,12b-dimethyl-8,11-dioxo-2,3,4a,5,6,6a,12,12a-octahydro-1H-pyrano[3,2-a]xanthen-9-yl]-4-methylhexan-3-yl] acetate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H44O8
Net Charge0
Average Mass532.674
Monoisotopic Mass532.30362
SMILES[H][C@]1(C(C)(C)O)CC[C@]2(C)C3C(O)C4=C(OC3[C@@H](C)C[C@@]2([H])O1)C(=O)C([C@H](C)[C@H](OC(C)=O)[C@@H](C)CC)=CC4=O
InChIInChI=1S/C30H44O8/c1-9-14(2)26(36-17(5)31)16(4)18-13-19(32)22-25(34)23-27(38-28(22)24(18)33)15(3)12-21-30(23,8)11-10-20(37-21)29(6,7)35/h13-16,20-21,23,25-27,34-35H,9-12H2,1-8H3/t14-,15-,16-,20+,21+,23?,25?,26+,27?,30-/m0/s1
InChIKeyMERDNJKHMKQNFC-PGCPQKQNSA-N
ChEBI Ontology
Outgoing Relation(s)
[(2S,3R,4S)-2-[(3R,4Ar,6S,12bR)-12-hydroxy-3-(2-hydroxypropan-2-yl)-6,12b-dimethyl-8,11-dioxo-2,3,4a,5,6,6a,12,12a-octahydro-1H-pyrano[3,2-a]xanthen-9-yl]-4-methylhexan-3-yl] acetate (CHEBI:182180) is a oxanes (CHEBI:46942)
IUPAC Name 
[(2S,3R,4S)-2-[(3R,4aR,6S,12bR)-12-hydroxy-3-(2-hydroxypropan-2-yl)-6,12b-dimethyl-8,11-dioxo-2,3,4a,5,6,6a,12,12a-octahydro-1H-pyrano[3,2-a]xanthen-9-yl]-4-methylhexan-3-yl] acetate
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