Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-05-14 18:44:25 UTC
Update Date2022-08-31 06:17:38 UTC
Metabolite IDMMDBc0001135
Metabolite Identification
Common Name4β-acetoxy-9β-10β-15α-trihydroxyprobotrydial
DescriptionCHEMBL515327 belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive isoprene units. Based on a literature review very few articles have been published on CHEMBL515327.
Structure
SynonymsNot Available
Molecular FormulaC17H28O5
Average Mass312.406
Monoisotopic Mass312.193674002
IUPAC Name(1R,2R,3R,4R,7R,8S,10R,11R)-2,3,11-trihydroxy-4,6,6,10-tetramethyltricyclo[5.3.1.0^{4,11}]undecan-8-yl acetate
Traditional Name(1R,2R,3R,4R,7R,8S,10R,11R)-2,3,11-trihydroxy-4,6,6,10-tetramethyltricyclo[5.3.1.0^{4,11}]undecan-8-yl acetate
CAS Registry NumberNot Available
SMILES
[H][C@]1(O)[C@]([H])(O)[C@@]2(C)CC(C)(C)[C@]3([H])[C@]([H])(C[C@@]([H])(C)[C@@]1([H])[C@]23O)OC(C)=O
InChI Identifier
InChI=1S/C17H28O5/c1-8-6-10(22-9(2)18)13-15(3,4)7-16(5)14(20)12(19)11(8)17(13,16)21/h8,10-14,19-21H,6-7H2,1-5H3/t8-,10+,11-,12-,13+,14+,16-,17-/m1/s1
InChI KeyXEUSNZUHUUORTO-SJSNFWCWSA-N