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CHEBI:176290 - Faradiol palmitate

Default Structure
ChEBI IDCHEBI:176290
ChEBI NameFaradiol palmitate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC46H80O3
Net Charge0
Average Mass681.143
Monoisotopic Mass680.61075
SMILESCCCCCCCCCCCCCCCC(=O)OC1CCC2(C)C(CCC3(C)C2CCC2C4C(C)C(C)=CCC4(C)C(O)CC23C)C1(C)C
InChIInChI=1S/C46H80O3/c1-10-11-12-13-14-15-16-17-18-19-20-21-22-23-40(48)49-39-28-30-43(6)36(42(39,4)5)27-31-45(8)37(43)25-24-35-41-34(3)33(2)26-29-44(41,7)38(47)32-46(35,45)9/h26,34-39,41,47H,10-25,27-32H2,1-9H3
InChIKeyTXBRTEQRWJPSKE-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Faradiol palmitate (CHEBI:176290) is a triterpenoid (CHEBI:36615)
IUPAC Name 
(8-hydroxy-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-picen-3-yl) hexadecanoate
Manual XrefsDatabases
35013788ChemSpider
HMDB0034842HMDB