CHEBI:182121 - 5-(4-acetyloxy-3-hydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydronaphthalen-1-yl)-3-methylpentanoic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 5-(4-acetyloxy-3-hydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydronaphthalen-1-yl)-3-methylpentanoic acid
ChEBI ID CHEBI:182121
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C22H36O5
Net Charge 0
Average Mass 380.525
Monoisotopic Mass 380.25627
InChI InChI=1S/C22H36O5/c1-13(12-17(24)25)8-9-16-14(2)18(26)19(27-15(3)23)20-21(4,5)10-7-11-22(16,20)6/h13,18-20,26H,7-12H2,1-6H3,(H,24,25)
InChIKey XFCLFWWTDWKJAH-UHFFFAOYSA-N
SMILES O(C1C2C(CCCC2(C)C)(C(=C(C1O)C)CCC(CC(O)=O)C)C)C(=O)C
ChEBI Ontology
Outgoing 5-(4-acetyloxy-3-hydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydronaphthalen-1-yl)-3-methylpentanoic acid (CHEBI:182121) is a diterpenoid (CHEBI:23849)
IUPAC Name
5-(4-acetyloxy-3-hydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydronaphthalen-1-yl)-3-methylpentanoic acid
Manual Xref Database
29814619 ChemSpider
View more database links