Identification Common Name Rhodojaponin I Class Small Molecule Description Rhodojaponin I is a bitter diterpenoid toxin found in the Japonese flower Rhododendron japonicum suringer (1 ). Contaminant Sources Contaminant Type Ester
Ether
Natural Compound
Organic Compound
PFAS
Phytotoxin
Plant Toxin Chemical Structure Synonyms Value Source (1S,3R,4R,6R,8S,9S,10R,11R,14R,15R,17S)-17-(Acetyloxy)-4,10,15-trihydroxy-5,5,10,15-tetramethyl-7-oxapentacyclo[12.2.1.0¹,¹¹.0⁴,⁹.0⁶,⁸]heptadecan-3-yl acetic acid Generator (1S,3R,4R,6R,8S,9S,10R,11R,14R,15R,17S)-17-(Acetyloxy)-4,10,15-trihydroxy-5,5,10,15-tetramethyl-7-oxapentacyclo[12.2.1.0,.0,.0,]heptadecan-3-yl acetic acid Generator
Chemical Formula C24 H36 O8 Average Molecular Mass 452.538 g/mol Monoisotopic Mass 452.241 g/mol CAS Registry Number 26116-88-1 IUPAC Name Not Available Traditional Name (1S,3R,4R,6R,8S,9S,10R,11R,14R,15R,17S)-17-(acetyloxy)-4,10,15-trihydroxy-5,5,10,15-tetramethyl-7-oxapentacyclo[12.2.1.0¹,¹¹.0⁴,⁹.0⁶,⁸]heptadecan-3-yl acetate SMILES [H][C@@]12O[C@]1([H])C(C)(C)[C@]1(O)[C@]2([H])[C@](C)(O)[C@]2([H])CC[C@]3([H])[C@]([H])(OC(C)=O)[C@]2(C[C@@]3(C)O)C[C@@]1([H])OC(C)=O InChI Identifier InChI=1S/C24H36O8/c1-11(25)30-15-9-23-10-21(5,27)13(18(23)31-12(2)26)7-8-14(23)22(6,28)17-16-19(32-16)20(3,4)24(15,17)29/h13-19,27-29H,7-10H2,1-6H3/t13-,14+,15-,16+,17+,18+,19+,21-,22-,23+,24-/m1/s1 InChI Key BQXZYRJBFJGDSL-MCFSDBFISA-N Chemical Taxonomy Description belongs to the class of organic compounds known as grayanoids. These are diterpenoids containing a skeleton based on or derived from the ent-kaurane moiety. Grayanoids usually possess either one of the grayanane, the 2,4-seco-grayanane, the 9,10-seco-grayanane, the 1,5-seco-grayanane, the kalmane, or the leucothane skeleton. Some derivatives also include the 1,5-seco-kalmane skeleton. Kingdom Organic compounds Super Class Lipids and lipid-like molecules Class Prenol lipids Sub Class Diterpenoids Direct Parent Grayanoids Alternative Parents Substituents Grayanoid
Dicarboxylic acid or derivatives
Oxane
Cyclic alcohol
Tertiary alcohol
Carboxylic acid ester
Carboxylic acid derivative
Dialkyl ether
Oxirane
Ether
Oxacycle
Polyol
Organoheterocyclic compound
Hydrocarbon derivative
Carbonyl group
Alcohol
Organooxygen compound
Organic oxygen compound
Organic oxide
Aliphatic heteropolycyclic compound Molecular Framework Aliphatic heteropolycyclic compounds External Descriptors Not Available 
