NSC76982

Molecular Formula: C₂₅H₃₇NO₃S

InChI: InChI=1/C25H37NO3S/c1-5-6-15-30-23(28)25(4)13-10-21-20(22(25)11-14-26)8-7-18-16-19(29-17(2)27)9-12-24(18,21)3/h7,19-22H,5-6,8-13,15-16H2,1-4H3/t19-,20+,21-,22-,24-,25-/m0/s1

InChIKey: InChIKey=JFFSTLYNUSZJBJ-JMTDQOONBQ
SMILES: CCCCSC(=O)C1(CCC2C(C1CC#N)CC=C3C2(CCC(C3)OC(=O)C)C)C

Names:
    NSC76982
    [(2S,4aR,4bS,7S,8S,8aR)-7-butylsulfanylcarbonyl-8-(cyanomethyl)-4a,7-dimethyl-1,2,3,4,4b,5,6,8,8a,9-decahydrophenanthren-2-yl] acetate

Registries:
    ChemSpider: InChIKey=JFFSTLYNUSZJBJ-JMTDQOONBQ
    PubChem CID 253754
    PubChem ID 118009