3-((Phenylsulfonyl)oxy)urs-12-en-28-oic acid

Molecular Formula: C36H52O5S


InChI: InChI=1/C36H52O5S/c1-23-15-20-36(31(37)38)22-21-34(6)26(30(36)24(23)2)13-14-28-33(5)18-17-29(32(3,4)27(33)16-19-35(28,34)7)41-42(39,40)25-11-9-8-10-12-25/h8-13,23-24,27-30H,14-22H2,1-7H3,(H,37,38)/f/h37H

InChIKey: InChIKey=BFYDIIAMUQPHHA-YLHGWYNBCJ
SMILES: CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)OS(=O)(=O)C6=CC=CC=C6)C)C)C2C1C)C)C(=O)O

Names:
    AIDS-133298
    AIDS133298
    NSC628658
    10-(benzenesulfonyloxy)-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
    3-((Phenylsulfonyl)oxy)urs-12-en-28-oic acid

Registries:
    PubChem CID 494682
    PubChem ID 229247