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CHEBI:144414 - 12-epi-Scalaradial

ChEBI IDCHEBI:144414
ChEBI Name12-epi-Scalaradial
Stars
Submittermwilliams
DownloadsMolfile
FormulaC27H40O4
Net Charge0
Average Mass428.613
Monoisotopic Mass428.29266
SMILESCC(=O)O[C@@H]1C[C@@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3CC[C@@]2(C)[C@@H]2CC=C(C=O)[C@H](C=O)[C@@]12C
InChIInChI=1S/C27H40O4/c1-17(30)31-23-14-22-25(4)12-7-11-24(2,3)20(25)10-13-26(22,5)21-9-8-18(15-28)19(16-29)27(21,23)6/h8,15-16,19-23H,7,9-14H2,1-6H3/t19-,20-,21-,22+,23+,25-,26-,27+/m0/s1
InChIKeyADWFEADZGIHPDE-VYGQJASISA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) liver (BTO:0000759) MetaboLights (MTBLS586) Strain: BALB/c [EFO:0000602]
ChEBI Ontology
Outgoing Relation(s)
12-epi-Scalaradial (CHEBI:144414) is a scalarane sesterterpenoid (CHEBI:59370)
IUPAC Name 
[(4aS,4bR,6R,6aS,7R,10aS,10bR,12aS)-7,8-diormyl-1,1,4a,6a,10b-pentamethyl-2,3,4,4b,5,6,7,10,10a,11,12,12a-dodecahydrochrysen-6-yl] acetate
Manual XrefsDatabases
C19900KEGG COMPOUND