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CHEBI:215810 - Microdiplane

ChEBI IDCHEBI:215810
ChEBI NameMicrodiplane
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC42H78O
Net Charge0
Average Mass599.085
Monoisotopic Mass598.60527
SMILESCCCCCCCCCCCCCCO[C@H]1CC[C@@]2(C)C(CC[C@H]3[C@@H]4CC[C@H]([C@H](C)CC[C@@H](C)C(C)C)[C@@]4(C)CC[C@@H]32)C1
InChIInChI=1S/C42H78O/c1-8-9-10-11-12-13-14-15-16-17-18-19-30-43-36-26-28-41(6)35(31-36)22-23-37-39-25-24-38(42(39,7)29-27-40(37)41)34(5)21-20-33(4)32(2)3/h32-40H,8-31H2,1-7H3/t33-,34-,35?,36+,37+,38-,39+,40+,41+,42-/m1/s1
InChIKeyCHSUSALJIGYQFO-CQDGVTQCSA-N
Species of MetaboliteComponentSourceComments
Microdiplodiaspecies (ncbitaxon:1932321) - PubMed (25559395)
ChEBI Ontology
Outgoing Relation(s)
Microdiplane (CHEBI:215810) is a ergostanoid (CHEBI:50403)
IUPAC Name 
(3S,8R,9S,10S,13R,14S,17R)-17-[(2R,5R)-5,6-dimethylheptan-2-yl]-10,13-dimethyl-3-tetradecoxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene
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