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CHEBI:173022 - Poriferasta-7,22E-dien-3beta-ol

ChEBI IDCHEBI:173022
ChEBI NamePoriferasta-7,22E-dien-3beta-ol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H48O
Net Charge0
Average Mass412.702
Monoisotopic Mass412.37052
SMILES[H][C@@]12CC=C3[C@]([H])(CC[C@@]4(C)[C@@]3([H])CC[C@]4([H])[C@H](C)/C=C/[C@H](CC)C(C)C)[C@@]1(C)CC[C@H](O)C2
InChIInChI=1S/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h8-9,11,19-23,25-27,30H,7,10,12-18H2,1-6H3/b9-8+/t20-,21+,22+,23+,25-,26+,27+,28+,29-/m1/s1
InChIKeyJZVFJDZBLUFKCA-INYURWPISA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) brain (BTO:0000142) MetaboLights (MTBLS2457) Strain: C57BL/6J [EFO:0000606]
ChEBI Ontology
Outgoing Relation(s)
Poriferasta-7,22E-dien-3beta-ol (CHEBI:173022) has parent hydride stigmastane (CHEBI:26773)
Poriferasta-7,22E-dien-3beta-ol (CHEBI:173022) is a steroid (CHEBI:35341)
IUPAC Name 
(3S,5S,9R,10S,13R,14R,17R)-17-[(E,2R,5R)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
Manual XrefsDatabases
4446755ChemSpider
LMST01040140LIPID MAPS
Registry NumbersSources
CAS:481-17-4ChemIDplus