Suvanine

Molecular Formula: C28H47N3O5S


InChI: InChI=1/C25H38O5S.C3H9N3/c1-23(2)12-5-13-25(4)21(23)10-14-24(3)20(8-6-18-11-15-29-16-18)19(7-9-22(24)25)17-30-31(26,27)28;1-6(2)3(4)5/h11,15-17,20-22H,5-10,12-14H2,1-4H3,(H,26,27,28);1-2H3,(H3,4,5)/b19-17+;/t20u,21u,22u,24u,25-;/m0./s1/fC25H37O5S.C3H10N3/h;4-5H2/q-1;+1

InChIKey: InChIKey=MUGYGAQKMRBEQJ-BPOJHWEVDM
SMILES: CC1(CCCC2(C1CCC3(C2CCC(=COS(=O)(=O)[O-])C3CCC4=COC=C4)C)C)C.C[N+](=C(N)N)C

Names:
    NSC613010
    Suvanine
    3-[2-[(2E,4bS)-4b,8,8,10a-tetramethyl-2-(sulfonatooxymethylidene)-1,3,4,4a,5,6,7,8a,9,10-decahydrophenanthren-1-yl]ethyl]furan; diaminomethylidene-dimethyl-azanium

Registries:
    PubChem CID 5459087
    PubChem ID 8141987