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CHEBI:166795 - Nebrosteroid M

ChEBI IDCHEBI:166795
ChEBI NameNebrosteroid M
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SubmitterMetaboLights
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FormulaC29H50O3
Net Charge0
Average Mass446.716
Monoisotopic Mass446.37600
SMILES[H][C@@]12CC[C@]([H])([C@H](C)CCC(=C)C(C)C)[C@@]1(C)C[C@H](O)[C@]1([H])[C@@]3(C)CC[C@H](O)[C@@H](C)[C@]3([H])CC[C@@]21O
InChIInChI=1S/C29H50O3/c1-17(2)18(3)8-9-19(4)21-10-11-25-28(21,7)16-24(31)26-27(6)14-13-23(30)20(5)22(27)12-15-29(25,26)32/h17,19-26,30-32H,3,8-16H2,1-2,4-7H3/t19-,20+,21-,22+,23+,24+,25-,26-,27+,28-,29-/m1/s1
InChIKeyVFYHLCIHPSUCBD-RLMSMOSBSA-N
ChEBI Ontology
Outgoing Relation(s)
Nebrosteroid M (CHEBI:166795) is a ergostanoid (CHEBI:50403)
IUPAC Name 
(3S,4S,5S,8R,9S,10S,11S,13R,14R,17R)-4,10,13-trimethyl-17-[(2R)-6-methyl-5-methylideneheptan-2-yl]-1,2,3,4,5,6,7,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,8,11-triol
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