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CHEBI:217624 - [(5aS,5bS,7S,7aS,11aS,11bS,13aS)-7-hydroxy-5b,8,8,13a-tetramethyl-3-oxo-4,5,5a,6,7,7a,9,10,11,11b,12,13-dodecahydro-1H-phenanthro[2,1-e][2]benzouran-11a-yl]methyl acetate

ChEBI IDCHEBI:217624
ChEBI Name[(5aS,5bS,7S,7aS,11aS,11bS,13aS)-7-hydroxy-5b,8,8,13a-tetramethyl-3-oxo-4,5,5a,6,7,7a,9,10,11,11b,12,13-dodecahydro-1H-phenanthro[2,1-e][2]benzouran-11a-yl]methyl acetate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H40O5
Net Charge0
Average Mass444.612
Monoisotopic Mass444.28757
SMILESCC(=O)OC[C@]12CCCC(C)(C)[C@@H]1[C@@H](O)C[C@]1(C)[C@@H]2CC[C@]2(C)C3=C(CC[C@@H]12)C(=O)OC3
InChIInChI=1S/C27H40O5/c1-16(28)32-15-27-11-6-10-24(2,3)22(27)19(29)13-26(5)20-8-7-17-18(14-31-23(17)30)25(20,4)12-9-21(26)27/h19-22,29H,6-15H2,1-5H3/t19-,20+,21-,22-,25+,26-,27-/m0/s1
InChIKeyVOWJYLPWDXLKDR-WYRWBKOKSA-N
Species of MetaboliteComponentSourceComments
Pleurotus ostreatus (ncbitaxon:5322) - PubMed (29625145)
ChEBI Ontology
Outgoing Relation(s)
[(5aS,5bS,7S,7aS,11aS,11bS,13aS)-7-hydroxy-5b,8,8,13a-tetramethyl-3-oxo-4,5,5a,6,7,7a,9,10,11,11b,12,13-dodecahydro-1H-phenanthro[2,1-e][2]benzouran-11a-yl]methyl acetate (CHEBI:217624) is a scalarane sesterterpenoid (CHEBI:59370)
IUPAC Name 
[(5aS,5bS,7S,7aS,11aS,11bS,13aS)-7-hydroxy-5b,8,8,13a-tetramethyl-3-oxo-4,5,5a,6,7,7a,9,10,11,11b,12,13-dodecahydro-1H-phenanthro[2,1-e][2]benzouran-11a-yl]methyl acetate