Molecule

(3S,8S,9S,10R,13R,14S,17R)-17-[(E,2R,5S)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol

Chemical Information

Molecular Image
InChI InChI=1S/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h8-10,19-21,23-27,30H,7,11-18H2,1-6H3/b9-8+/t20-,21-,23+,24+,25-,26+,27+,28+,29-/m1/s1
SMILES CC[C@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C
InChI Key HCXVJBMSMIARIN-PHZDYDNGSA-N
Exact Mass 412.700 g/mol

Metadata Information

Field Value
NFDI4Chem Molecule ID nfdi4chem-mol6637
Source
Alternate Name
    Field Value
    No additional information available for this Dataset.
    Data-Source Molecule ID Data-Source
    CHEBI:28824 chebi
    LMST01040123 lipidmaps
    CHEMBL400247 chembl
    23999 surechembl
    5280794 pubchem
    99WUK5D0Y8 fdasrs
    PD017693 probes_and_drugs
    MEYSEO CCDC
    192301 brenda
    2584 brenda
    44832 brenda
    69551 brenda
    HMDB0000937 hmdb
    DTXSID801015733 comptox
    FDB001936 foodb
    Molport-004-956-055 molport
    50376364 bindingdb
    The data in this table is sourced from UniChem at EBI.