Bryotoxin A

Molecular Formula: C₃₂H₄₂O₁₂

InChI: InChI=1/C32H42O12/c1-16-12-22(43-17(2)34)25(36)28(42-16)44-19-6-9-30(15-33)24-21(7-10-31(30,39)13-19)32(40)11-8-20(18-4-5-23(35)41-14-18)29(32,3)27(38)26(24)37/h4-5,14-16,19-22,24-26,28,36-37,39-40H,6-13H2,1-3H3/t16-,19+,20-,21-,22-,24-,25+,26+,28+,29+,30+,31+,32+/m1/s1

InChIKey: InChIKey=KWKQJZASURFCDP-ZPARAVGQBQ
SMILES: CC1CC(C(C(O1)OC2CCC3(C4C(CCC3(C2)O)C5(CCC(C5(C(=O)C4O)C)C6=COC(=O)C=C6)O)C=O)O)OC(=O)C

Names:
    Bryotoxin A
    C08853
    101329-50-4
    [(2S,3S,4R,6R)-2-[[(3S,5S,8R,9R,10R,11S,13R,14S,17S)-10-formyl-5,11,14-trihydroxy-13-methyl-12-oxo-17-(6-oxopyran-3-yl)-1,2,3,4,6,7,8,9,11,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl]oxy]-3-hydroxy-6-methyl-oxan-4-yl] acetate

Registries:
    PubChem CID 441848
    PubChem ID 11046