Molecule

(1S,2R,4aS,6aS,6bR,10S,12aR)-10-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid

Chemical Information

Molecular Image
InChI InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21?,22?,23+,24?,27+,28-,29-,30+/m1/s1
SMILES C[C@H]1CC[C@@]2(C(=O)O)CC[C@@]3(C)C(=CCC4[C@]5(C)CC[C@@H](O)C(C)(C)C5CC[C@@]43C)C2[C@@H]1C
InChI Key WCGUUGGRBIKTOS-POPPTPIPSA-N
Exact Mass 456.700 g/mol

Metadata Information

Field Value
NFDI4Chem Molecule ID nfdi4chem-mol8653
Source
Alternate Name
    Field Value
    No additional information available for this Dataset.
    Data-Source Molecule ID Data-Source
    CHEMBL3039159 chembl
    9883367 surechembl
    3001199 pubchem
    PD000434 probes_and_drugs
    Molport-001-740-468 molport
    The data in this table is sourced from UniChem at EBI.