Molecule

(1R,4aR,4bR,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylic acid

Chemical Information

Molecular Image
InChI InChI=1S/C20H30O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h7,12-13,16-17H,5-6,8-11H2,1-4H3,(H,21,22)/t16-,17+,19+,20+/m0/s1
SMILES CC(C)C1=CC2=CC[C@@H]3[C@@]([C@H]2CC1)(CCC[C@@]3(C)C(=O)O)C
InChI Key RSWGJHLUYNHPMX-ONCXSQPRSA-N
Exact Mass 302.225 g/mol

Metadata Information

Field Value
NFDI4Chem Molecule ID nfdi4chem-mol69825
Source
Alternate Name
    Field Value
    No additional information available for this Dataset.
    Data-Source Molecule ID Data-Source
    CHEBI:28987 chebi
    LMPR0104050001 lipidmaps
    A9H rcsb_pdb
    CHEMBL71893 chembl
    28888 surechembl
    10569 pubchem
    V3DHX33184 fdasrs
    PD011897 probes_and_drugs
    YAWMOY CCDC
    147849 brenda
    169638 brenda
    191931 brenda
    3524 brenda
    A9H pdbe
    DTXSID7022047 comptox
    Molport-002-507-350 molport
    50442901 bindingdb
    The data in this table is sourced from UniChem at EBI.