Molecule

(1R,3aR,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-3a,5a,5b,8,8,11a-hexamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-ol

Chemical Information

Molecular Image
InChI InChI=1S/C30H50O/c1-19(2)20-11-14-27(5)17-18-29(7)21(25(20)27)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h20-25,31H,1,9-18H2,2-8H3/t20-,21+,22-,23+,24-,25+,27+,28-,29+,30+/m0/s1
SMILES C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12
InChI Key MQYXUWHLBZFQQO-QGTGJCAVSA-N
Exact Mass 426.700 g/mol

Metadata Information

Field Value
NFDI4Chem Molecule ID nfdi4chem-mol3402
Source
Alternate Name
    Field Value
    No additional information available for this Dataset.
    Data-Source Molecule ID Data-Source
    DB12622 drugbank
    CHEBI:6570 chebi
    LMPR0106130001 lipidmaps
    CHEMBL289191 chembl
    148518 surechembl
    259846 pubchem
    O268W13H3O fdasrs
    PD011657 probes_and_drugs
    JOLBIW CCDC
    3130 brenda
    DTXSID901025006 comptox
    Molport-006-111-741 molport
    50377927 bindingdb
    The data in this table is sourced from UniChem at EBI.