Estradiol-3-dansylate

Molecular Formula: C₃₀H₃₅NO₄S

InChI: InChI=1/C30H35NO4S/c1-30-17-16-22-21-13-11-20(18-19(21)10-12-23(22)26(30)14-15-29(30)32)35-36(33,34)28-9-5-6-24-25(28)7-4-8-27(24)31(2)3/h4-9,11,13,18,22-23,26,29,32H,10,12,14-17H2,1-3H3/t22-,23-,26+,29+,30+/m1/s1

InChIKey: InChIKey=HPCHMBPQUJEXLJ-XDLBVFQSBL
SMILES: CC12CCC3C(C1CCC2O)CCC4=C3C=CC(=C4)OS(=O)(=O)C5=CC=CC6=C5C=CC=C6N(C)C

Names:
    Estradiol-3-dansylate
    Estra-1,3,5(10)-triene-3,17-diol (17beta)-, 3-(5-(dimethylamino)-1-naphthalenesulfonate)
    (8S,9S,13S,14S,17S)-3-(5-dimethylaminonaphthalen-1-yl)sulfonyloxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-ol
    3-Dansylestradiol
    30808-48-1

Registries:
    PubChem CID 68583
    PubChem ID 210707