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CHEBI:165224 - Pristimerol

ChEBI IDCHEBI:165224
ChEBI NamePristimerol
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FormulaC30H42O4
Net Charge0
Average Mass466.662
Monoisotopic Mass466.30831
SMILES[H][C@@]12C[C@](C)(C(=O)OC)CC[C@]1(C)CC[C@]1(C)C3=CCc4c(cc(O)c(O)c4C)[C@]3(C)CC[C@@]21C
InChIInChI=1S/C30H42O4/c1-18-19-8-9-22-28(4,20(19)16-21(31)24(18)32)13-15-30(6)23-17-27(3,25(33)34-7)11-10-26(23,2)12-14-29(22,30)5/h9,16,23,31-32H,8,10-15,17H2,1-7H3/t23-,26-,27-,28+,29-,30+/m1/s1
InChIKeyGAPWCQHXCIXKLV-WXPPGMDDSA-N
Roles Classification
Biological Role:
xenobiotic  A xenobiotic (Greek, xenos "foreign"; bios "life") is a compound that is foreign to a living organism. Principal xenobiotics include: drugs, carcinogens and various compounds that have been introduced into the environment by artificial means.
ChEBI Ontology
Outgoing Relation(s)
Pristimerol (CHEBI:165224) is a phenanthrenes (CHEBI:25961)
IUPAC Name 
methyl (2R,4aS,6aS,6aS,14aS,14bR)-10,11-dihydroxy-2,4a,6a,6a,9,14a-hexamethyl-3,4,5,6,8,13,14,14b-octahydro-1H-picene-2-carboxylate
Manual XrefsDatabases
23149271ChemSpider