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CHEBI:191989 - Faradiol

Default Structure
ChEBI IDCHEBI:191989
ChEBI NameFaradiol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H50O2
Net Charge0
Average Mass442.728
Monoisotopic Mass442.38108
SMILES[H][C@]12CC[C@@]3([H])[C@@](C)(C[C@H](O)[C@@]4(C)CC=C(C)[C@@H](C)[C@]34[H])[C@]1(C)CC[C@@]1([H])C(C)(C)[C@@H](O)CC[C@]21C
InChIInChI=1S/C30H50O2/c1-18-11-14-28(6)24(32)17-30(8)20(25(28)19(18)2)9-10-22-27(5)15-13-23(31)26(3,4)21(27)12-16-29(22,30)7/h11,19-25,31-32H,9-10,12-17H2,1-8H3/t19-,20-,21+,22-,23+,24+,25-,27+,28-,29-,30-/m1/s1
InChIKeyBNHIQKVOPNHQKO-IMLFCHQCSA-N
Species of MetaboliteComponentSourceComments
Populus trichocarpa (ncbitaxon:3694) root (BTO:0001188) MetaboLights (MTBLS4196)
ChEBI Ontology
Outgoing Relation(s)
Faradiol (CHEBI:191989) is a triterpenoid (CHEBI:36615)
IUPAC Name 
(3S,4aR,6aR,6aR,6bR,8S,8aS,12S,12aR,14aR,14bR)-4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,6,6a,7,8,9,12,12a,13,14,14a-tetradecahydro-1H-picene-3,8-diol
Manual XrefsDatabases
8021936ChemSpider
Registry NumbersSources
CAS:20554-95-4ChemIDplus